# 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:  P4Rh6Sc

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B6C_hP11_143_ad_2d_b-001

# Last updated on 2024/08/01

data_P4Rh6Sc
_pd_phase_name P4Rh6Sc
_cell_length_a  6.9680000000
_cell_length_b  6.9680000000
_cell_length_c  3.6660000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P-6'
_symmetry_Int_Tables_Number  174
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  x,y,-z
  5  -y,x-y,-z
  6  -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
P1  1.0000000000 0.0000033333 0.9999966667 0.9989000000  Biso 1.0 P  1 a
Sc5 1.0000000000 0.3333333333 0.6666666667 0.0000000000  Biso 1.0 Sc 1 c
Rh3 1.0000000000 0.7858333333 0.1866666667 0.9999000000  Biso 1.0 Rh 3 j
P2  1.0000000000 0.5152333333 0.4751666667 0.4994000000  Biso 1.0 P  3 k
Rh4 1.0000000000 0.1474333333 0.8676666667 0.4998000000  Biso 1.0 Rh 3 k
