data_[Te2W2Se6Br2]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5336]
_cell_length_b [7.4466]
_cell_length_c [8.3505]
_cell_angle_alpha [114.1741]
_cell_angle_beta [103.3907]
_cell_angle_gamma [100.6040]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TeWSe3Br]
_chemical_formula_sum '[Te2 W2 Se6 Br2]'
_cell_volume [342.3132]
_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  0.3822  0.8663  0.6957  1
  W  W1  2  0.2193  0.0000  0.9998  1
  Se  Se2  2  0.0179  0.8463  0.1678  1
  Se  Se3  2  0.1207  0.3270  0.1772  1
  Se  Se4  2  0.4608  0.7585  0.0391  1
  Br  Br5  2  0.2452  0.3961  0.5532  1
]