data_CoWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   147.28
_cell_angle_beta   116.95
_cell_angle_gamma   72.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoWBr2
_chemical_formula_sum   'Co1 W1 Br2'
_cell_volume   74.39
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.34  1.0
  Br  Br0  1  0.52  0.0  0.25  1.0
  Br  Br1  1  0.0  0.82  0.09  1.0

data_CoWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   63.05
_cell_angle_beta   73.64
_cell_angle_gamma   73.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoWBr2
_chemical_formula_sum   'Co1 W1 Br2'
_cell_volume   74.39
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.34  -0.0  0.66  1.0
  Br  Br2  1  0.09  0.0  0.73  1.0
  Br  Br3  1  0.73  0.52  0.75  1.0

Co W Br Br