# 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:  AuTe2 calaverite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2_mP12_7_2a_4a-001

# Last updated on 2024/08/01

data_Au4Te8
_pd_phase_name Au4Te8
_cell_length_a  8.7894421939
_cell_length_b  4.4100000000
_cell_length_c  14.3164691234
_cell_angle_alpha  90.0000000000
_cell_angle_beta  144.7325676477
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pc'
_symmetry_Int_Tables_Number  7
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,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
Au1 1.0000000000 0.4997000000 0.4938000000 0.6240000000  Biso 1.0 Au 2 a
Au2 1.0000000000 0.4998000000 0.9941000000 0.3729000000  Biso 1.0 Au 2 a
Te3 1.0000000000 0.7895000000 0.9862000000 0.3623000000  Biso 1.0 Te 2 a
Te4 1.0000000000 0.2091000000 0.0520000000 0.8838000000  Biso 1.0 Te 2 a
Te5 1.0000000000 0.2157000000 0.4464000000 0.6366000000  Biso 1.0 Te 2 a
Te6 1.0000000000 0.7893000000 0.5585000000 0.1128000000  Biso 1.0 Te 2 a
