# 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:  BiPd

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_mP16_4_4a_4a-001

# Last updated on 2024/08/01

data_Bi8Pd8
_pd_phase_name Bi8Pd8
_cell_length_a  5.6350000000
_cell_length_b  10.6600000000
_cell_length_c  5.6640500000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  100.8305000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}'
_symmetry_Int_Tables_Number  4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-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
Bi1 1.0000000000 0.8481000000 0.0000000000 0.9133000000  Biso 1.0 Bi 2 a
Bi2 1.0000000000 0.3724000000 0.9937000000 0.3488000000  Biso 1.0 Bi 2 a
Bi3 1.0000000000 0.1520000000 0.7123000000 0.6016000000  Biso 1.0 Bi 2 a
Bi4 1.0000000000 0.6071000000 0.7139000000 0.1559000000  Biso 1.0 Bi 2 a
Pd5 1.0000000000 0.9150000000 0.2710000000 0.9130000000  Biso 1.0 Pd 2 a
Pd6 1.0000000000 0.3250000000 0.2650000000 0.3230000000  Biso 1.0 Pd 2 a
Pd7 1.0000000000 0.1140000000 0.4370000000 0.5940000000  Biso 1.0 Pd 2 a
Pd8 1.0000000000 0.6480000000 0.4410000000 0.1640000000  Biso 1.0 Pd 2 a
