data_CoW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Br
_chemical_formula_sum   'Co1 W2 Br1'
_cell_volume   62.34
_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  Co1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.3  0.1  0.43  1.0
  W  W3  1  0.3  0.9  0.43  1.0
  Br  Br0  1  0.61  0.0  0.0  1.0

data_CoW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   116.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Br
_chemical_formula_sum   'Co1 W2 Br1'
_cell_volume   62.34
_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  0.43  0.3  0.1  1.0
  W  W2  1  0.43  0.3  0.9  1.0
  Br  Br3  1  0.0  0.61  0.0  1.0

Co W W Br