data_Zn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   7.33
_cell_length_c   2.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Re
_chemical_formula_sum   'Zn4 Re2'
_cell_volume   103.86
_cell_formula_units_Z   2
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  0.98  0.3  0.0  1.0
  Zn  Zn3  1  0.83  0.97  0.26  1.0
  Zn  Zn4  1  0.79  0.36  0.26  1.0
  Zn  Zn5  1  0.65  0.03  0.0  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.81  0.66  0.26  1.0

data_Zn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   5.63
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Re
_chemical_formula_sum   'Zn4 Re2'
_cell_volume   103.86
_cell_formula_units_Z   2
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  0.98  0.3  1.0
  Zn  Zn1  1  -0.0  0.65  0.03  1.0
  Zn  Zn2  1  0.26  0.79  0.36  1.0
  Zn  Zn3  1  0.26  0.83  0.97  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.26  0.81  0.66  1.0

Zn Zn Zn Zn Re Re
Zn Zn Zn Zn Re Re 0 2 o o o 1 3 o + o 1 4 + + o 1 5 o o o 2 5 o o o 4 5 - - o 5 5 o o + 