# 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:  PPd6

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB6_mP28_14_e_6e-001

# Last updated on 2024/08/01

data_P4Pd24
_pd_phase_name P4Pd24
_cell_length_a  5.6740000000
_cell_length_b  9.4409000000
_cell_length_c  8.2100000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  110.4140000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-y+1/2,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
P1 1.0000000000 0.8845000000 0.2608000000 0.7519000000  Biso 1.0 P 4 e
Pd2 1.0000000000 0.9669000000 0.8635000000 0.9445000000  Biso 1.0 Pd 4 e
Pd3 1.0000000000 0.5265000000 0.1381000000 0.0684000000  Biso 1.0 Pd 4 e
Pd4 1.0000000000 0.7756000000 0.8696000000 0.5752000000  Biso 1.0 Pd 4 e
Pd5 1.0000000000 0.7070000000 0.1315000000 0.4326000000  Biso 1.0 Pd 4 e
Pd6 1.0000000000 0.8702000000 0.5777000000 0.7527000000  Biso 1.0 Pd 4 e
Pd7 1.0000000000 0.6127000000 0.4156000000 0.2529000000  Biso 1.0 Pd 4 e
