# 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:  Ho2S3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B3_mP30_11_6e_9e-001

# Last updated on 2024/08/01

data_Ho12S18
_pd_phase_name Ho12S18
_cell_length_a  10.1500000000
_cell_length_b  4.0020000000
_cell_length_c  17.5000000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  80.6000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/m'
_symmetry_Int_Tables_Number  11
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z
  3  -x,-y,-z
  4  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
Ho1 1.0000000000 0.8106000000 0.2500000000 0.0208000000  Biso 1.0 Ho 2 e
Ho2 1.0000000000 0.8758000000 0.2500000000 0.4300000000  Biso 1.0 Ho 2 e
Ho3 1.0000000000 0.1708000000 0.2500000000 0.7806000000  Biso 1.0 Ho 2 e
Ho4 1.0000000000 0.8128000000 0.2500000000 0.7203000000  Biso 1.0 Ho 2 e
Ho5 1.0000000000 0.5133000000 0.2500000000 0.3981000000  Biso 1.0 Ho 2 e
Ho6 1.0000000000 0.4506000000 0.2500000000 0.1156000000  Biso 1.0 Ho 2 e
S10 1.0000000000 0.3628000000 0.2500000000 0.2808000000  Biso 1.0 S 2 e
S11 1.0000000000 0.9919000000 0.2500000000 0.2689000000  Biso 1.0 S 2 e
S12 1.0000000000 0.2892000000 0.2500000000 0.6306000000  Biso 1.0 S 2 e
S13 1.0000000000 0.0494000000 0.2500000000 0.9239000000  Biso 1.0 S 2 e
S14 1.0000000000 0.6808000000 0.2500000000 0.1825000000  Biso 1.0 S 2 e
S15 1.0000000000 0.6322000000 0.2500000000 0.5319000000  Biso 1.0 S 2 e
S7 1.0000000000 0.9469000000 0.2500000000 0.5756000000  Biso 1.0 S 2 e
S8 1.0000000000 0.7317000000 0.2500000000 0.8731000000  Biso 1.0 S 2 e
S9 1.0000000000 0.3833000000 0.2500000000 0.9672000000  Biso 1.0 S 2 e
