# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  C30H30N8O8Zn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A30B30C8D8E_mP308_14_30e_30e_8e_8e_e-001

# Last updated on 2024/08/01

data_C120H120N32O32Zn4
_pd_phase_name C120H120N32O32Zn4
_cell_length_a  12.9069983340
_cell_length_b  22.1850000000
_cell_length_c  18.2704893605
_cell_angle_alpha  90.0000000000
_cell_angle_beta  143.8757929658
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-y+1/2,z+1/2
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
C10 1.0000000000 0.4645000000 0.4687800000 0.0982000000  Biso 1.0 C 4 e
C1 1.0000000000 0.2759000000 0.3988000000 0.0080000000  Biso 1.0 C 4 e
C11 1.0000000000 0.9733000000 0.6072000000 0.9317000000  Biso 1.0 C 4 e
C12 1.0000000000 0.9656000000 0.6705500000 0.8964000000  Biso 1.0 C 4 e
C13 1.0000000000 0.8547000000 0.7134000000 0.8635000000  Biso 1.0 C 4 e
C14 1.0000000000 0.8515000000 0.7713000000 0.8327000000  Biso 1.0 C 4 e
C15 1.0000000000 0.9574000000 0.7866000000 0.8354000000  Biso 1.0 C 4 e
C16 1.0000000000 0.0614000000 0.7445000000 0.8645000000  Biso 1.0 C 4 e
C17 1.0000000000 0.0682000000 0.6861000000 0.8960000000  Biso 1.0 C 4 e
C18 1.0000000000 0.5124000000 0.4215200000 0.0826000000  Biso 1.0 C 4 e
C19 1.0000000000 0.2342000000 0.5389000000 0.2252000000  Biso 1.0 C 4 e
C20 1.0000000000 0.3465000000 0.5651600000 0.3487000000  Biso 1.0 C 4 e
C2 1.0000000000 0.5688000000 0.3601000000 0.2999000000  Biso 1.0 C 4 e
C21 1.0000000000 0.2664000000 0.5970000000 0.3590000000  Biso 1.0 C 4 e
C22 1.0000000000 0.3668000000 0.6241000000 0.4695000000  Biso 1.0 C 4 e
C23 1.0000000000 0.5455000000 0.6190000000 0.5702000000  Biso 1.0 C 4 e
C24 1.0000000000 0.6274000000 0.5864000000 0.5622000000  Biso 1.0 C 4 e
C25 1.0000000000 0.5268000000 0.5604000000 0.4506000000  Biso 1.0 C 4 e
C26 1.0000000000 0.7102000000 0.5264000000 0.1953000000  Biso 1.0 C 4 e
C27 1.0000000000 0.6686000000 0.4205000000 0.1283000000  Biso 1.0 C 4 e
C28 1.0000000000 0.3813000000 0.3168000000 0.9857000000  Biso 1.0 C 4 e
C29 1.0000000000 0.9233000000 0.4799000000 0.2340000000  Biso 1.0 C 4 e
C30 1.0000000000 0.5108000000 0.5737000000 0.1704000000  Biso 1.0 C 4 e
C3 1.0000000000 0.7203000000 0.3038000000 0.3238000000  Biso 1.0 C 4 e
C4 1.0000000000 0.8132000000 0.3570000000 0.3799000000  Biso 1.0 C 4 e
C5 1.0000000000 0.9705000000 0.3661000000 0.4313000000  Biso 1.0 C 4 e
C6 1.0000000000 0.9403000000 0.2602000000 0.3717000000  Biso 1.0 C 4 e
C7 1.0000000000 0.7505000000 0.4530000000 0.4137000000  Biso 1.0 C 4 e
C8 1.0000000000 0.1931000000 0.3191000000 0.4783000000  Biso 1.0 C 4 e
C9 1.0000000000 0.6958000000 0.1972000000 0.2726000000  Biso 1.0 C 4 e
H31 1.0000000000 0.1786000000 0.3778000000 0.9696000000  Biso 1.0 H 4 e
H32 1.0000000000 0.4769000000 0.3750000000 0.2757000000  Biso 1.0 H 4 e
H33 1.0000000000 0.8326000000 0.4503000000 0.5003000000  Biso 1.0 H 4 e
H34 1.0000000000 0.6414000000 0.4692000000 0.3690000000  Biso 1.0 H 4 e
H35 1.0000000000 0.7973000000 0.4789000000 0.4031000000  Biso 1.0 H 4 e
H36 1.0000000000 0.2481000000 0.3573000000 0.5187000000  Biso 1.0 H 4 e
H37 1.0000000000 0.1696000000 0.3150000000 0.4135000000  Biso 1.0 H 4 e
H38 1.0000000000 0.2701000000 0.2873000000 0.5378000000  Biso 1.0 H 4 e
H39 1.0000000000 0.6322000000 0.1933000000 0.2815000000  Biso 1.0 H 4 e
H40 1.0000000000 0.7810000000 0.1654000000 0.3177000000  Biso 1.0 H 4 e
H41 1.0000000000 0.6153000000 0.1945000000 0.1863000000  Biso 1.0 H 4 e
H42 1.0000000000 0.7831000000 0.7035000000 0.8621000000  Biso 1.0 H 4 e
H43 1.0000000000 0.7765000000 0.8000000000 0.8099000000  Biso 1.0 H 4 e
H44 1.0000000000 0.9572000000 0.8258000000 0.8173000000  Biso 1.0 H 4 e
H45 1.0000000000 0.1302000000 0.7546000000 0.8635000000  Biso 1.0 H 4 e
H46 1.0000000000 0.1420000000 0.6577000000 0.9168000000  Biso 1.0 H 4 e
H47 1.0000000000 0.1445000000 0.6000000000 0.2911000000  Biso 1.0 H 4 e
H48 1.0000000000 0.3126000000 0.6461000000 0.4756000000  Biso 1.0 H 4 e
H49 1.0000000000 0.6126000000 0.6375000000 0.6446000000  Biso 1.0 H 4 e
H50 1.0000000000 0.7490000000 0.5821000000 0.6314000000  Biso 1.0 H 4 e
H51 1.0000000000 0.5815000000 0.5393000000 0.4442000000  Biso 1.0 H 4 e
H52 1.0000000000 0.4792000000 0.2928000000 0.0574000000  Biso 1.0 H 4 e
H53 1.0000000000 0.3844000000 0.3208000000 0.9351000000  Biso 1.0 H 4 e
H54 1.0000000000 0.2737000000 0.2975000000 0.9386000000  Biso 1.0 H 4 e
H55 1.0000000000 0.9335000000 0.5195000000 0.2193000000  Biso 1.0 H 4 e
H56 1.0000000000 0.9222000000 0.4506000000 0.1947000000  Biso 1.0 H 4 e
H57 1.0000000000 0.0214000000 0.4723000000 0.3217000000  Biso 1.0 H 4 e
H58 1.0000000000 0.4077000000 0.5640000000 0.1395000000  Biso 1.0 H 4 e
H59 1.0000000000 0.4867000000 0.6077000000 0.1257000000  Biso 1.0 H 4 e
H60 1.0000000000 0.6055000000 0.5835000000 0.2571000000  Biso 1.0 H 4 e
N61 1.0000000000 0.3174000000 0.4557200000 0.0532000000  Biso 1.0 N 4 e
N62 1.0000000000 0.5693000000 0.3029000000 0.2735000000  Biso 1.0 N 4 e
N63 1.0000000000 0.7222000000 0.3965000000 0.3688000000  Biso 1.0 N 4 e
N64 1.0000000000 0.7856000000 0.2559300000 0.3219000000  Biso 1.0 N 4 e
N65 1.0000000000 0.0277000000 0.3155600000 0.4249000000  Biso 1.0 N 4 e
N66 1.0000000000 0.3914000000 0.3762100000 0.0250000000  Biso 1.0 N 4 e
N67 1.0000000000 0.7582000000 0.4755100000 0.1821000000  Biso 1.0 N 4 e
N68 1.0000000000 0.5604000000 0.5218000000 0.1535000000  Biso 1.0 N 4 e
O69 1.0000000000 0.7226000000 0.3778300000 0.1233000000  Biso 1.0 O 4 e
O70 1.0000000000 0.0564000000 0.4146100000 0.4798000000  Biso 1.0 O 4 e
O71 1.0000000000 0.0006000000 0.2182600000 0.3713000000  Biso 1.0 O 4 e
O72 1.0000000000 0.7943000000 0.5725700000 0.2409000000  Biso 1.0 O 4 e
O73 1.0000000000 0.0952000000 0.5739100000 0.9781000000  Biso 1.0 O 4 e
O74 1.0000000000 0.1402000000 0.4073100000 0.0870000000  Biso 1.0 O 4 e
O75 1.0000000000 0.3111000000 0.5190800000 0.2121000000  Biso 1.0 O 4 e
O76 1.0000000000 0.9281000000 0.4618100000 0.8579000000  Biso 1.0 O 4 e
Zn77 1.0000000000 0.1546600000 0.4885600000 0.0411100000  Biso 1.0 Zn 4 e
