data_[Te3W2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9461]
_cell_length_b [6.6689]
_cell_length_c [18.7416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Te3(WBr)2]
_chemical_formula_sum '[Te3 W2 Br2]'
_cell_volume [868.1693]
_cell_formula_units_Z [1]
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  0.8229  0.2464  0.5237  1
  Te  Te1  1  0.3275  0.0000  0.6145  1
  W  W2  1  0.1053  0.5000  0.5020  1
  W  W3  1  0.1218  0.0000  0.5061  1
  Br  Br4  2  0.2652  0.2478  0.4149  1
]