# 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:  In2Te5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B5_mC28_9_2a_5a-001

# Last updated on 2024/08/01

data_In8Te20
_pd_phase_name In8Te20
_cell_length_a  4.3900000000
_cell_length_b  16.3900000000
_cell_length_c  13.5200000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  91.6500000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cc'
_symmetry_Int_Tables_Number  9
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,z+1/2
  3  x+1/2,y+1/2,z
  4  x+1/2,-y+1/2,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
In1 1.0000000000 0.0044000000 0.9983000000 0.1398000000  Biso 1.0 In 4 a
In2 1.0000000000 0.0238000000 0.6157000000 0.3132000000  Biso 1.0 In 4 a
Te3 1.0000000000 0.5238000000 0.5095000000 0.3535000000  Biso 1.0 Te 4 a
Te4 1.0000000000 0.9947000000 0.6041000000 0.1001000000  Biso 1.0 Te 4 a
Te5 1.0000000000 0.5496000000 0.8075000000 0.2326000000  Biso 1.0 Te 4 a
Te6 1.0000000000 0.9810000000 0.7706000000 0.3870000000  Biso 1.0 Te 4 a
Te7 1.0000000000 0.9479000000 0.8405000000 0.0765000000  Biso 1.0 Te 4 a
