data_CrWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   151.82
_cell_angle_beta   139.11
_cell_angle_gamma   50.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrWBr2
_chemical_formula_sum   'Cr1 W1 Br2'
_cell_volume   88.1
_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  Cr2  1  0.0  0.0  0.98  1.0
  W  W3  1  0.0  0.3  0.82  1.0
  Br  Br0  1  0.0  0.0  0.34  1.0
  Br  Br1  1  0.6  0.0  0.71  1.0

data_CrWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.6
_cell_length_c   6.59
_cell_angle_alpha   110.44
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrWBr2
_chemical_formula_sum   'Cr1 W1 Br2'
_cell_volume   88.1
_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  0.98  0.98  1.0
  W  W1  1  0.7  0.52  0.52  1.0
  Br  Br2  1  0.0  0.34  0.34  1.0
  Br  Br3  1  0.0  0.71  0.11  1.0

Cr W Br Br