data_[Te4Au2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2610]
_cell_length_b [6.9401]
_cell_length_c [7.4730]
_cell_angle_alpha [92.0226]
_cell_angle_beta [96.7670]
_cell_angle_gamma [109.2804]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Te2AuBr]
_chemical_formula_sum '[Te4 Au2 Br2]'
_cell_volume [254.9549]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Te  Te0  1  0.1158  0.9284  0.5516  1.0
  Te  Te1  1  0.3523  0.4728  0.6243  1.0
  Te  Te2  1  0.4135  0.9400  0.2579  1.0
  Te  Te3  1  0.6647  0.5083  0.3325  1.0
  Au  Au4  1  0.5538  0.2071  0.7772  1.0
  Au  Au5  1  0.8778  0.2121  0.4424  1.0
  Br  Br6  1  0.7273  0.9370  0.9200  1.0
  Br  Br7  1  0.9660  0.5017  0.9845  1.0
]