# 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:  Mo4P3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B3_oP56_62_8c_6c-001

# Last updated on 2024/08/01

data_Mo32P24
_pd_phase_name Mo32P24
_cell_length_a  12.4280000000
_cell_length_b  3.1580000000
_cell_length_c  20.4400000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnma'
_symmetry_Int_Tables_Number  62
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
  4  x+1/2,-y+1/2,-z+1/2
  5  -x,-y,-z
  6  x+1/2,y,-z+1/2
  7  x,-y+1/2,z
  8  -x+1/2,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
Mo1 1.0000000000 0.1939000000 0.2500000000 0.2262000000  Biso 1.0 Mo 4 c
Mo2 1.0000000000 0.3843000000 0.2500000000 0.8518000000  Biso 1.0 Mo 4 c
Mo3 1.0000000000 0.1218000000 0.2500000000 0.6891000000  Biso 1.0 Mo 4 c
Mo4 1.0000000000 0.2980000000 0.2500000000 0.0835000000  Biso 1.0 Mo 4 c
Mo5 1.0000000000 0.4007000000 0.2500000000 0.5269000000  Biso 1.0 Mo 4 c
Mo6 1.0000000000 0.0952000000 0.2500000000 0.4665000000  Biso 1.0 Mo 4 c
Mo7 1.0000000000 0.2977000000 0.2500000000 0.3863000000  Biso 1.0 Mo 4 c
Mo8 1.0000000000 0.0095000000 0.2500000000 0.8272000000  Biso 1.0 Mo 4 c
P10 1.0000000000 0.4824000000 0.2500000000 0.4186000000  Biso 1.0 P 4 c
P11 1.0000000000 0.3206000000 0.2500000000 0.6371000000  Biso 1.0 P 4 c
P12 1.0000000000 0.0382000000 0.2500000000 0.5805000000  Biso 1.0 P 4 c
P13 1.0000000000 0.0155000000 0.2500000000 0.2745000000  Biso 1.0 P 4 c
P14 1.0000000000 0.1994000000 0.2500000000 0.7941000000  Biso 1.0 P 4 c
P9 1.0000000000 0.2464000000 0.2500000000 0.9730000000  Biso 1.0 P 4 c
