# 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:  Ga17Rh10

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A17B10_tP108_116_e8j_ad2g2h5i-001

# Last updated on 2024/08/01

data_Ga68Rh40
_pd_phase_name Ga68Rh40
_cell_length_a  5.8130000000
_cell_length_b  5.8130000000
_cell_length_c  47.4600000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P-4c2'
_symmetry_Int_Tables_Number  116
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  y,-x,-z
  4  -y,x,-z
  5  x,-y,z+1/2
  6  -x,y,z+1/2
  7  y,x,-z+1/2
  8  -y,-x,-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
Rh10 1.0000000000 0.0000000000 0.0000000000 0.2500000000  Biso 1.0 Rh 2 a
Rh11 1.0000000000 0.5000000000 0.5000000000 0.0000000000  Biso 1.0 Rh 2 d
Ga1 1.0000000000 0.6820000000 0.6820000000 0.2500000000  Biso 1.0 Ga 4 e
Rh12 1.0000000000 0.0000000000 0.0000000000 0.0510000000  Biso 1.0 Rh 4 g
Rh13 1.0000000000 0.0000000000 0.0000000000 0.1497000000  Biso 1.0 Rh 4 g
Rh14 1.0000000000 0.5000000000 0.5000000000 0.0996000000  Biso 1.0 Rh 4 h
Rh15 1.0000000000 0.5000000000 0.5000000000 0.2010000000  Biso 1.0 Rh 4 h
Rh16 1.0000000000 0.0000000000 0.5000000000 0.9746000000  Biso 1.0 Rh 4 i
Rh17 1.0000000000 0.0000000000 0.5000000000 0.8760000000  Biso 1.0 Rh 4 i
Rh18 1.0000000000 0.0000000000 0.5000000000 0.7745000000  Biso 1.0 Rh 4 i
Rh19 1.0000000000 0.0000000000 0.5000000000 0.6752000000  Biso 1.0 Rh 4 i
Rh20 1.0000000000 0.0000000000 0.5000000000 0.5752000000  Biso 1.0 Rh 4 i
Ga2 1.0000000000 0.8450000000 0.7350000000 0.0147000000  Biso 1.0 Ga 8 j
Ga3 1.0000000000 0.2960000000 0.6600000000 0.0450000000  Biso 1.0 Ga 8 j
Ga4 1.0000000000 0.6780000000 0.8150000000 0.0744000000  Biso 1.0 Ga 8 j
Ga5 1.0000000000 0.1700000000 0.8100000000 0.1023000000  Biso 1.0 Ga 8 j
Ga6 1.0000000000 0.7870000000 0.6600000000 0.1314000000  Biso 1.0 Ga 8 j
Ga7 1.0000000000 0.3440000000 0.7440000000 0.1618000000  Biso 1.0 Ga 8 j
Ga8 1.0000000000 0.7840000000 0.8470000000 0.1917000000  Biso 1.0 Ga 8 j
Ga9 1.0000000000 0.1660000000 0.7000000000 0.2214000000  Biso 1.0 Ga 8 j
