# 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:  AgTe2Tl3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C3_mP24_14_e_2e_3e-001

# Last updated on 2024/08/01

data_Ag4Te8Tl12
_pd_phase_name Ag4Te8Tl12
_cell_length_a  11.0256115855
_cell_length_b  7.4270000000
_cell_length_c  9.8880000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  116.6781240396
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-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
Ag1 1.0000000000 0.9070000000 0.8310000000 0.5811000000  Biso 1.0 Ag 4 e
Te2 1.0000000000 0.0380000000 0.7655000000 0.3922000000  Biso 1.0 Te 4 e
Te3 1.0000000000 0.6242000000 0.7354000000 0.9354000000  Biso 1.0 Te 4 e
Tl4 1.0000000000 0.2163000000 0.9844000000 0.2056000000  Biso 1.0 Tl 4 e
Tl5 1.0000000000 0.4121000000 0.7158000000 0.0805000000  Biso 1.0 Tl 4 e
Tl6 1.0000000000 0.2356000000 0.9912000000 0.7682000000  Biso 1.0 Tl 4 e
