# 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:  AB2_oP24_28_acd_2c3d-001 AuTe2 krennerite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2_oP24_28_acd_2c3d-001

# Last updated on 2024/08/01
data_AuTe2
_pd_phase_name AuTe2
_cell_length_a  16.5400000000
_cell_length_b  8.8200000000
_cell_length_c  4.4600000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pma2'
_symmetry_Int_Tables_Number  28
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x+1/2,-y,z
  4  -x+1/2,y,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
Au1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Au 2 a
Au2 1.0000000000 0.2500000000 0.3190000000 0.0140000000  Biso 1.0 Au 2 c
Te4 1.0000000000 0.2500000000 0.0180000000 0.0420000000  Biso 1.0 Te 2 c
Te5 1.0000000000 0.2500000000 0.6170000000 0.0420000000  Biso 1.0 Te 2 c
Au3 1.0000000000 0.1240000000 0.6660000000 0.5000000000  Biso 1.0 Au 4 d
Te6 1.0000000000 0.0030000000 0.6990000000 0.0420000000  Biso 1.0 Te 4 d
Te7 1.0000000000 0.1320000000 0.3640000000 0.5000000000  Biso 1.0 Te 4 d
Te8 1.0000000000 0.1190000000 0.9640000000 0.5000000000  Biso 1.0 Te 4 d
