# 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:  Rh20Si13

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ A10B7_hP34_176_c3h_b2h-001

# Last updated on 2024/08/09

data_Rh20Si13
_pd_phase_name Rh20Si13
_cell_length_a  11.8510000000
_cell_length_b  11.8510000000
_cell_length_c  3.6230000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{3}/m'
_symmetry_Int_Tables_Number  176
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+1/2
  5  y,-x+y,z+1/2
  6  x-y,x,z+1/2
  7  -x,-y,-z
  8  y,-x+y,-z
  9  x-y,x,-z
  10  x,y,-z+1/2
  11  -y,x-y,-z+1/2
  12  -x+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
Si1 0.5000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Si 2 b
Rh2 1.0000000000 0.3333333333 0.6666666667 0.2500000000  Biso 1.0 Rh 2 c
Rh3 1.0000000000 0.1843000000 0.9967000000 0.2500000000  Biso 1.0 Rh 6 h
Rh4 1.0000000000 0.1283000000 0.7275000000 0.2500000000  Biso 1.0 Rh 6 h
Rh5 1.0000000000 0.0713000000 0.4613000000 0.2500000000  Biso 1.0 Rh 6 h
Si6 1.0000000000 0.8942000000 0.6609000000 0.2500000000  Biso 1.0 Si 6 h
Si7 1.0000000000 0.8322000000 0.3819000000 0.2500000000  Biso 1.0 Si 6 h
