# 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:  O9P2SrVZn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A9B2CDE_oP112_61_9c_2c_c_c_c-001

# Last updated on 2024/08/01

data_O72P16Sr8V8Zn8
_pd_phase_name O72P16Sr8V8Zn8
_cell_length_a  9.0660000000
_cell_length_b  9.0120000000
_cell_length_c  17.5130000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pbca'
_symmetry_Int_Tables_Number  61
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x+1/2,-y+1/2,-z
  5  -x,-y,-z
  6  x+1/2,y,-z+1/2
  7  x,-y+1/2,z+1/2
  8  -x+1/2,y+1/2,z
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
O1 1.0000000000 0.9184000000 0.7599000000 0.5943000000  Biso 1.0 O 8 c
O2 1.0000000000 0.1535000000 0.0933000000 0.2792000000  Biso 1.0 O 8 c
O3 1.0000000000 0.3204000000 0.8859000000 0.5151000000  Biso 1.0 O 8 c
O4 1.0000000000 0.9562000000 0.2635000000 0.1999000000  Biso 1.0 O 8 c
O5 1.0000000000 0.4002000000 0.6199000000 0.5338000000  Biso 1.0 O 8 c
O6 1.0000000000 0.3428000000 0.4029000000 0.1739000000  Biso 1.0 O 8 c
O7 1.0000000000 0.5905000000 0.8125000000 0.5137000000  Biso 1.0 O 8 c
O8 1.0000000000 0.1615000000 0.4039000000 0.2868000000  Biso 1.0 O 8 c
O9 1.0000000000 0.1400000000 0.5892000000 0.1770000000  Biso 1.0 O 8 c
P10 1.0000000000 0.2436700000 0.5007800000 0.2287300000  Biso 1.0 P 8 c
P11 1.0000000000 0.4327500000 0.7681300000 0.4919100000  Biso 1.0 P 8 c
Sr12 1.0000000000 0.1500800000 0.9385900000 0.4026400000  Biso 1.0 Sr 8 c
V13 1.0000000000 0.0027300000 0.2500200000 0.2877300000  Biso 1.0 V 8 c
Zn14 1.0000000000 0.1971700000 0.9238100000 0.0661000000  Biso 1.0 Zn 8 c
