# 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:  Al4Pt

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A14B3_hP102_158_abc13d_3d-001

# Last updated on 2024/08/02

data_Al84Pt18
_pd_phase_name Al84Pt18
_cell_length_a  13.0770000000
_cell_length_b  13.0770000000
_cell_length_c  9.6342000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3c1'
_symmetry_Int_Tables_Number  158
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
  4  -y,-x,z+1/2
  5  -x+y,y,z+1/2
  6  x,x-y,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
Al1 1.0000000000 -0.0000000000 0.0000000000 0.9991000000  Biso 1.0 Al 2 a
Al2 1.0000000000 0.3333300000 0.6666700000 0.0366000000  Biso 1.0 Al 2 b
Al3 1.0000000000 0.6666700000 0.3333300000 0.4953000000  Biso 1.0 Al 2 c
Al10 1.0000000000 0.1486000000 0.1049000000 0.2508000000  Biso 1.0 Al 6 d
Al11 1.0000000000 0.2874000000 0.5164000000 0.2591000000  Biso 1.0 Al 6 d
Al12 1.0000000000 0.3262000000 0.3372000000 0.1197000000  Biso 1.0 Al 6 d
Al13 1.0000000000 0.3388000000 0.3260000000 0.3956000000  Biso 1.0 Al 6 d
Al14 1.0000000000 0.3852000000 0.1090000000 0.3519000000  Biso 1.0 Al 6 d
Al15 1.0000000000 0.4330000000 0.1921000000 0.0979000000  Biso 1.0 Al 6 d
Al16 1.0000000000 0.6239000000 0.1853000000 0.2650000000  Biso 1.0 Al 6 d
Al4 1.0000000000 0.0490000000 0.4530000000 0.1688000000  Biso 1.0 Al 6 d
Al5 1.0000000000 0.0593000000 0.2628000000 0.1575000000  Biso 1.0 Al 6 d
Al6 1.0000000000 0.0871000000 0.2331000000 0.0929000000  Biso 1.0 Al 6 d
Al7 1.0000000000 0.0985000000 0.2392000000 0.4129000000  Biso 1.0 Al 6 d
Al8 1.0000000000 0.0850000000 0.2727000000 0.3552000000  Biso 1.0 Al 6 d
Al9 1.0000000000 0.1046000000 0.5228000000 0.4241000000  Biso 1.0 Al 6 d
Pt17 1.0000000000 0.2069000000 0.4422000000 0.0147000000  Biso 1.0 Pt 6 d
Pt18 1.0000000000 0.2258000000 0.1165000000 0.0036000000  Biso 1.0 Pt 6 d
Pt19 1.0000000000 0.5639000000 0.1088000000 0.0130000000  Biso 1.0 Pt 6 d
