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 [P-1]
_cell_length_a [4.1514]
_cell_length_b [6.6649]
_cell_length_c [11.0474]
_cell_angle_alpha [88.4441]
_cell_angle_beta [89.9652]
_cell_angle_gamma [72.9862]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2AuBr]
_chemical_formula_sum '[Te4 Au2 Br2]'
_cell_volume [292.1738]
_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  2  0.3692  0.2764  0.6563  1.0
  Te  Te1  2  0.3753  0.2767  0.3623  1.0
  Au  Au2  2  0.0020  0.0023  0.3576  1.0
  Br  Br3  2  0.3549  0.2905  0.8919  1.0
]