data_[Cr4W2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3582]
_cell_length_b [2.9991]
_cell_length_c [4.4510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cr2WBr]
_chemical_formula_sum '[Cr4 W2 Br2]'
_cell_volume [123.8653]
_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
[
  Cr  Cr0  2  0.2481  0.0000  0.7548  1
  Cr  Cr1  2  0.4837  0.5000  0.9649  1
  W  W2  2  0.0118  0.5000  0.5483  1
  Br  Br3  2  0.2564  0.5000  0.2320  1
]