# 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:  AgC10H4N4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB10C4D4_mP152_14_2e_20e_8e_8e-001

# Last updated on 2024/08/01

data_Ag8C80H32N32
_pd_phase_name Ag8C80H32N32
_cell_length_a  24.1163324115
_cell_length_b  10.1520000000
_cell_length_c  8.3910000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  100.0279185714
_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
Ag1 1.0000000000 0.0968000000 0.5219000000 0.5410000000  Biso 1.0 Ag 4 e
Ag2 1.0000000000 0.5965000000 0.9712000000 0.5501000000  Biso 1.0 Ag 4 e
C10 1.0000000000 0.7219000000 0.3243000000 0.6183000000  Biso 1.0 C 4 e
C11 1.0000000000 0.6955000000 0.2053000000 0.5751000000  Biso 1.0 C 4 e
C12 1.0000000000 0.7282000000 0.1054000000 0.6545000000  Biso 1.0 C 4 e
C13 1.0000000000 0.7233000000 0.8871000000 0.7509000000  Biso 1.0 C 4 e
C14 1.0000000000 0.6964000000 0.7641000000 0.7266000000  Biso 1.0 C 4 e
C15 1.0000000000 0.7207000000 0.6667000000 0.8339000000  Biso 1.0 C 4 e
C16 1.0000000000 0.7754000000 0.6608000000 0.9166000000  Biso 1.0 C 4 e
C17 1.0000000000 0.8039000000 0.7783000000 0.8990000000  Biso 1.0 C 4 e
C18 1.0000000000 0.7816000000 0.8938000000 0.8159000000  Biso 1.0 C 4 e
C19 1.0000000000 0.4592000000 0.6526000000 0.4816000000  Biso 1.0 C 4 e
C20 1.0000000000 0.4331000000 0.6018000000 0.3280000000  Biso 1.0 C 4 e
C21 1.0000000000 0.5061000000 0.7384000000 0.4962000000  Biso 1.0 C 4 e
C22 1.0000000000 0.4341000000 0.6272000000 0.6190000000  Biso 1.0 C 4 e
C3 1.0000000000 0.9651000000 0.8647000000 0.4810000000  Biso 1.0 C 4 e
C4 1.0000000000 0.9442000000 0.9048000000 0.6157000000  Biso 1.0 C 4 e
C5 1.0000000000 0.9445000000 0.9010000000 0.3234000000  Biso 1.0 C 4 e
C6 1.0000000000 0.0144000000 0.7950000000 0.4985000000  Biso 1.0 C 4 e
C7 1.0000000000 0.7801000000 0.1202000000 0.7607000000  Biso 1.0 C 4 e
C8 1.0000000000 0.8078000000 0.2406000000 0.7462000000  Biso 1.0 C 4 e
C9 1.0000000000 0.7780000000 0.3563000000 0.6965000000  Biso 1.0 C 4 e
H23 1.0000000000 0.8532000000 0.2438000000 0.7742000000  Biso 1.0 H 4 e
H24 1.0000000000 0.7949000000 0.4548000000 0.7144000000  Biso 1.0 H 4 e
H25 1.0000000000 0.6952000000 0.4091000000 0.5875000000  Biso 1.0 H 4 e
H26 1.0000000000 0.6561000000 0.1927000000 0.4931000000  Biso 1.0 H 4 e
H27 1.0000000000 0.6602000000 0.7465000000 0.6333000000  Biso 1.0 H 4 e
H28 1.0000000000 0.6934000000 0.5864000000 0.8548000000  Biso 1.0 H 4 e
H29 1.0000000000 0.7937000000 0.5768000000 0.9854000000  Biso 1.0 H 4 e
H30 1.0000000000 0.8478000000 0.7817000000 0.9549000000  Biso 1.0 H 4 e
N31 1.0000000000 0.9331000000 0.9559000000 0.7183000000  Biso 1.0 N 4 e
N32 1.0000000000 0.9043000000 0.9310000000 0.2315000000  Biso 1.0 N 4 e
N33 1.0000000000 0.0571000000 0.7471000000 0.5014000000  Biso 1.0 N 4 e
N34 1.0000000000 0.8086000000 0.0110000000 0.8281000000  Biso 1.0 N 4 e
N35 1.0000000000 0.7021000000 0.9848000000 0.6450000000  Biso 1.0 N 4 e
N36 1.0000000000 0.4205000000 0.5652000000 0.1921000000  Biso 1.0 N 4 e
N37 1.0000000000 0.5468000000 0.8001000000 0.5215000000  Biso 1.0 N 4 e
N38 1.0000000000 0.4206000000 0.5883000000 0.7395000000  Biso 1.0 N 4 e
