data_Zn2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.53
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2WBr
_chemical_formula_sum   'Zn2 W1 Br1'
_cell_volume   67.05
_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
  Zn  Zn2  1  0.59  0.0  0.77  1.0
  Zn  Zn3  1  0.55  0.26  0.29  1.0
  W  W1  1  0.06  0.26  0.8  1.0
  Br  Br0  1  0.06  0.0  0.44  1.0

data_Zn2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.53
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2WBr
_chemical_formula_sum   'Zn2 W1 Br1'
_cell_volume   67.05
_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
  Zn  Zn0  1  0.55  0.26  0.29  1.0
  Zn  Zn1  1  0.59  0.0  0.77  1.0
  W  W2  1  0.06  0.26  0.8  1.0
  Br  Br3  1  0.06  0.0  0.44  1.0

Zn Zn W Br