# 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:  S7Y5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7B5_mC24_12_a3i_c2i-001

# Last updated on 2024/08/01

data_S14Y10
_pd_phase_name S14Y10
_cell_length_a  12.7680000000
_cell_length_b  3.8030000000
_cell_length_c  19.2747700000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  144.5858900000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/m'
_symmetry_Int_Tables_Number  12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  -x,-y,-z
  4  x,-y,z
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-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
S1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 S 2 a
Y5 1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 Y 2 c
S2 1.0000000000 0.2897000000 0.0000000000 0.4490000000  Biso 1.0 S 4 i
S3 1.0000000000 0.8247000000 0.0000000000 0.2846000000  Biso 1.0 S 4 i
S4 1.0000000000 0.9066000000 0.0000000000 0.1476000000  Biso 1.0 S 4 i
Y6 1.0000000000 0.5076000000 -0.0000000000 0.3097000000  Biso 1.0 Y 4 i
Y7 1.0000000000 0.4647000000 -0.0000000000 0.0774000000  Biso 1.0 Y 4 i
