# 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:  ABC4_mP12_13_e_a_2g-001 AgAuTe4 sylvanite E1b

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC4_mP12_13_e_a_2g-001

# Last updated on 2024/08/01
data_Ag2Au2Te8
_pd_phase_name Ag2Au2Te8
_cell_length_a  8.9500000000
_cell_length_b  4.4780000000
_cell_length_c  14.6208000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  145.3500000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2/c'
_symmetry_Int_Tables_Number  13
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z+1/2
  3  -x,-y,-z
  4  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
Au2 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Au 2 a
Ag1 1.0000000000 0.0000000000 0.5182000000 0.2500000000  Biso 1.0 Ag 2 e
Te3 1.0000000000 0.2986000000 0.0278000000 0.0003000000  Biso 1.0 Te 4 g
Te4 1.0000000000 0.2821000000 0.4045000000 0.2366000000  Biso 1.0 Te 4 g
