# 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:  Al5Mo

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B_hP60_143_7a7b6c10d_3a3b4c-001

# Last updated on 2024/08/01

data_Al50Mo10
_pd_phase_name Al50Mo10
_cell_length_a  4.9330000000
_cell_length_b  4.9330000000
_cell_length_c  43.9800000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3'
_symmetry_Int_Tables_Number  143
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,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
Al1 1.0000000000 0.0000000000 0.0000000000 0.0100000000  Biso 1.0 Al 1 a
Al2 1.0000000000 0.0000000000 0.0000000000 0.1000000000  Biso 1.0 Al 1 a
Al3 1.0000000000 0.0000000000 0.0000000000 0.2000000000  Biso 1.0 Al 1 a
Al4 1.0000000000 0.0000000000 0.0000000000 0.3000000000  Biso 1.0 Al 1 a
Al5 1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 Al 1 a
Al6 1.0000000000 0.0000000000 0.0000000000 0.7000000000  Biso 1.0 Al 1 a
Al7 1.0000000000 0.0000000000 0.0000000000 0.8000000000  Biso 1.0 Al 1 a
Mo31 1.0000000000 0.0000000000 0.0000000000 0.4000000000  Biso 1.0 Mo 1 a
Mo32 1.0000000000 0.0000000000 0.0000000000 0.6000000000  Biso 1.0 Mo 1 a
Mo33 1.0000000000 0.0000000000 0.0000000000 0.9000000000  Biso 1.0 Mo 1 a
Al10 1.0000000000 0.3333300000 0.6666700000 0.4000000000  Biso 1.0 Al 1 b
Al11 1.0000000000 0.3333300000 0.6666700000 0.5000000000  Biso 1.0 Al 1 b
Al12 1.0000000000 0.3333300000 0.6666700000 0.6000000000  Biso 1.0 Al 1 b
Al13 1.0000000000 0.3333300000 0.6666700000 0.7000000000  Biso 1.0 Al 1 b
Al14 1.0000000000 0.3333300000 0.6666700000 0.9000000000  Biso 1.0 Al 1 b
Al8 1.0000000000 0.3333300000 0.6666700000 0.0000000000  Biso 1.0 Al 1 b
Al9 1.0000000000 0.3333300000 0.6666700000 0.2000000000  Biso 1.0 Al 1 b
Mo34 1.0000000000 0.3333300000 0.6666700000 0.1000000000  Biso 1.0 Mo 1 b
Mo35 1.0000000000 0.3333300000 0.6666700000 0.3000000000  Biso 1.0 Mo 1 b
Mo36 1.0000000000 0.3333300000 0.6666700000 0.8000000000  Biso 1.0 Mo 1 b
Al15 1.0000000000 0.6666700000 0.3333300000 0.1000000000  Biso 1.0 Al 1 c
Al16 1.0000000000 0.6666700000 0.3333300000 0.3000000000  Biso 1.0 Al 1 c
Al17 1.0000000000 0.6666700000 0.3333300000 0.4000000000  Biso 1.0 Al 1 c
Al18 1.0000000000 0.6666700000 0.3333300000 0.6000000000  Biso 1.0 Al 1 c
Al19 1.0000000000 0.6666700000 0.3333300000 0.8000000000  Biso 1.0 Al 1 c
Al20 1.0000000000 0.6666700000 0.3333300000 0.9000000000  Biso 1.0 Al 1 c
Mo37 1.0000000000 0.6666700000 0.3333300000 0.0000000000  Biso 1.0 Mo 1 c
Mo38 1.0000000000 0.6666700000 0.3333300000 0.2000000000  Biso 1.0 Mo 1 c
Mo39 1.0000000000 0.6666700000 0.3333300000 0.5000000000  Biso 1.0 Mo 1 c
Mo40 1.0000000000 0.6666700000 0.3333300000 0.7000000000  Biso 1.0 Mo 1 c
Al21 1.0000000000 0.6666700000 0.6666700000 0.0500000000  Biso 1.0 Al 3 d
Al22 1.0000000000 0.3333300000 0.3333300000 0.1500000000  Biso 1.0 Al 3 d
Al23 1.0000000000 0.6666700000 0.6666700000 0.2500000000  Biso 1.0 Al 3 d
Al24 1.0000000000 0.3333300000 0.3333300000 0.3500000000  Biso 1.0 Al 3 d
Al25 1.0000000000 0.6666700000 0.6666700000 0.4500000000  Biso 1.0 Al 3 d
Al26 1.0000000000 0.3333300000 0.3333300000 0.5500000000  Biso 1.0 Al 3 d
Al27 1.0000000000 0.6666700000 0.6666700000 0.6500000000  Biso 1.0 Al 3 d
Al28 1.0000000000 0.3333300000 0.3333300000 0.7500000000  Biso 1.0 Al 3 d
Al29 1.0000000000 0.6666700000 0.6666700000 0.8500000000  Biso 1.0 Al 3 d
Al30 1.0000000000 0.3333300000 0.3333300000 0.9500000000  Biso 1.0 Al 3 d
