data_Zn2ReW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReW
_chemical_formula_sum   'Zn2 Re1 W1'
_cell_volume   59.92
_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  0.32  0.13  0.33  1.0
  Zn  Zn3  1  0.32  0.87  0.33  1.0
  Re  Re0  1  0.65  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.0  1.0

data_Zn2ReW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   116.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReW
_chemical_formula_sum   'Zn2 Re1 W1'
_cell_volume   59.92
_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  0.33  0.32  0.13  1.0
  Zn  Zn1  1  0.33  0.32  0.87  1.0
  Re  Re2  1  0.0  0.65  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Zn Zn Re W
Zn Zn Re W 0 1 o - o 0 3 o o o 1 2 o + o 2 3 + o o 