# 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:  Mo8P5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A8B5_mP13_6_5a3b_2a3b-001

# Last updated on 2024/08/01

data_Mo8P5
_pd_phase_name Mo8P5
_cell_length_a  6.5370000000
_cell_length_b  3.2090000000
_cell_length_c  9.3990000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  70.4100000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pm'
_symmetry_Int_Tables_Number  6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,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
Mo1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Mo 1 a
Mo2 1.0000000000 0.7610000000 0.0000000000 0.7806000000  Biso 1.0 Mo 1 a
Mo3 1.0000000000 0.2069000000 0.0000000000 0.2468000000  Biso 1.0 Mo 1 a
Mo4 1.0000000000 0.6431000000 0.0000000000 0.3061000000  Biso 1.0 Mo 1 a
Mo5 1.0000000000 0.2061000000 0.0000000000 0.5706000000  Biso 1.0 Mo 1 a
Mo6 1.0000000000 0.6063000000 0.5000000000 0.0529000000  Biso 1.0 Mo 1 b
P9  1.0000000000 0.5699000000 0.0000000000 0.5831000000  Biso 1.0 P  1 a
P10 1.0000000000 0.3764000000 0.0000000000 0.9856000000  Biso 1.0 P  1 a
Mo7 1.0000000000 0.3887000000 0.5000000000 0.7805000000  Biso 1.0 Mo 1 b
Mo8 1.0000000000 0.8768000000 0.5000000000 0.4977000000  Biso 1.0 Mo 1 b
P11 1.0000000000 0.9341000000 0.5000000000 0.2090000000  Biso 1.0 P  1 b
P12 1.0000000000 0.3447000000 0.5000000000 0.3716000000  Biso 1.0 P  1 b
P13 1.0000000000 0.0187000000 0.5000000000 0.7858000000  Biso 1.0 P  1 b
