# 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:  Al13Co4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A13B4_oP102_31_17a11b_8a2b-001

# Last updated on 2024/08/01

data_Al78Co24
_pd_phase_name Al78Co24
_cell_length_a  8.1580000000
_cell_length_b  12.3420000000
_cell_length_c  14.4520000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pmn2_{1}'
_symmetry_Int_Tables_Number  31
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+1/2,-y,z+1/2
  4  -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
Al10 1.0000000000 0.0000000000 0.4010000000 0.1491000000  Biso 1.0 Al 2 a
Al1 1.0000000000 0.0000000000 0.9945000000 0.8151000000  Biso 1.0 Al 2 a
Al11 1.0000000000 0.0000000000 0.6837000000 0.6749000000  Biso 1.0 Al 2 a
Al12 1.0000000000 0.0000000000 0.5900000000 0.3960000000  Biso 1.0 Al 2 a
Al13 1.0000000000 0.0000000000 0.5271000000 0.0054000000  Biso 1.0 Al 2 a
Al14 1.0000000000 0.0000000000 0.5986000000 0.2149000000  Biso 1.0 Al 2 a
Al15 1.0000000000 0.0000000000 0.7111000000 0.9668000000  Biso 1.0 Al 2 a
Al16 1.0000000000 0.0000000000 0.1047000000 0.2380000000  Biso 1.0 Al 2 a
Al17 1.0000000000 0.0000000000 0.4179000000 0.5881000000  Biso 1.0 Al 2 a
Al2 1.0000000000 0.0000000000 0.0914000000 0.9569000000  Biso 1.0 Al 2 a
Al3 1.0000000000 0.0000000000 0.9053000000 0.6226000000  Biso 1.0 Al 2 a
Al4 1.0000000000 0.0000000000 0.9085000000 0.4431000000  Biso 1.0 Al 2 a
Al5 1.0000000000 0.0000000000 0.1394000000 0.6728000000  Biso 1.0 Al 2 a
Al6 1.0000000000 0.0000000000 0.8113000000 0.1564000000  Biso 1.0 Al 2 a
Al7 1.0000000000 0.0000000000 0.8092000000 0.8360000000  Biso 1.0 Al 2 a
Al8 1.0000000000 0.0000000000 0.2520000000 0.4140000000  Biso 1.0 Al 2 a
Al9 1.0000000000 0.0000000000 0.4070000000 0.8520000000  Biso 1.0 Al 2 a
Co29 1.0000000000 0.0000000000 0.8978000000 0.0000000000  Biso 1.0 Co 2 a
Co30 1.0000000000 0.0000000000 0.0901000000 0.5114000000  Biso 1.0 Co 2 a
Co31 1.0000000000 0.0000000000 0.1977000000 0.8250000000  Biso 1.0 Co 2 a
Co32 1.0000000000 0.0000000000 0.7720000000 0.3167000000  Biso 1.0 Co 2 a
Co33 1.0000000000 0.0000000000 0.5986000000 0.8248000000  Biso 1.0 Co 2 a
Co34 1.0000000000 0.0000000000 0.4119000000 0.3137000000  Biso 1.0 Co 2 a
Co35 1.0000000000 0.0000000000 0.7309000000 0.5180000000  Biso 1.0 Co 2 a
Co36 1.0000000000 0.0000000000 0.2877000000 0.0076000000  Biso 1.0 Co 2 a
Al18 1.0000000000 0.2135000000 0.2138000000 0.0996000000  Biso 1.0 Al 4 b
Al19 1.0000000000 0.2138000000 0.9020000000 0.2831000000  Biso 1.0 Al 4 b
Al20 1.0000000000 0.2401000000 0.0829000000 0.4088000000  Biso 1.0 Al 4 b
Al21 1.0000000000 0.2534000000 0.2550000000 0.9172000000  Biso 1.0 Al 4 b
Al22 1.0000000000 0.2251000000 0.9810000000 0.0935000000  Biso 1.0 Al 4 b
Al23 1.0000000000 0.2214000000 0.2229000000 0.5500000000  Biso 1.0 Al 4 b
Al24 1.0000000000 0.2259000000 0.5885000000 0.5422000000  Biso 1.0 Al 4 b
Al25 1.0000000000 0.2244000000 0.2946000000 0.7352000000  Biso 1.0 Al 4 b
Al26 1.0000000000 0.2291000000 0.4220000000 0.4252000000  Biso 1.0 Al 4 b
Al27 1.0000000000 0.2133000000 0.5174000000 0.7338000000  Biso 1.0 Al 4 b
Al28 1.0000000000 0.2319000000 0.2763000000 0.2849000000  Biso 1.0 Al 4 b
Co37 1.0000000000 0.2257000000 0.9099000000 0.7346000000  Biso 1.0 Co 4 b
Co38 1.0000000000 0.2181000000 0.5969000000 0.0984000000  Biso 1.0 Co 4 b
