data_ZnW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.95
_cell_angle_alpha   105.96
_cell_angle_beta   105.96
_cell_angle_gamma   33.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnW2Br
_chemical_formula_sum   'Zn1 W2 Br1'
_cell_volume   67.28
_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
  Zn  Zn3  1  0.19  0.0  0.5  1.0
  W  W1  1  0.61  0.0  0.73  1.0
  W  W2  1  0.48  0.0  0.39  1.0
  Br  Br0  1  0.83  0.0  0.23  1.0

data_ZnW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.95
_cell_length_c   5.1
_cell_angle_alpha   105.96
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnW2Br
_chemical_formula_sum   'Zn1 W2 Br1'
_cell_volume   67.28
_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
  Zn  Zn0  1  0.0  0.5  0.19  1.0
  W  W1  1  0.0  0.39  0.48  1.0
  W  W2  1  0.0  0.73  0.61  1.0
  Br  Br3  1  0.0  0.23  0.83  1.0

Zn W W Br