# 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:  P4Re

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B_oP40_61_4c_c-001

# Last updated on 2024/08/01

data_P32Re8
_pd_phase_name P32Re8
_cell_length_a  6.2270000000
_cell_length_b  9.2310000000
_cell_length_c  10.8540000000
_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
P1 1.0000000000 0.0613000000 0.2829000000 0.2364000000  Biso 1.0 P 8 c
P2 1.0000000000 0.1889000000 0.9479000000 0.2386000000  Biso 1.0 P 8 c
P3 1.0000000000 0.7538000000 0.0436000000 0.0817000000  Biso 1.0 P 8 c
P4 1.0000000000 0.4986000000 0.2089000000 0.0639300000  Biso 1.0 P 8 c
Re5 1.0000000000 0.1218000000 0.1095000000 0.0755000000  Biso 1.0 Re 8 c
