data_Cr2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.31
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2WBr
_chemical_formula_sum   'Cr2 W1 Br1'
_cell_volume   57.05
_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
  Cr  Cr1  1  0.46  0.0  0.26  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.15  0.26  1.0
  Br  Br0  1  0.46  0.15  0.0  1.0

data_Cr2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.31
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2WBr
_chemical_formula_sum   'Cr2 W1 Br1'
_cell_volume   57.05
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.46  0.0  0.26  1.0
  W  W2  1  0.0  0.15  0.26  1.0
  Br  Br3  1  0.46  0.15  0.0  1.0

Cr Cr W Br
Cr Cr W Br 0 2 o o o 0 3 o o o 1 3 o o o 1 2 o o o 