data_ZnRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.52
_cell_angle_alpha   104.87
_cell_angle_beta   104.87
_cell_angle_gamma   32.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe
_chemical_formula_sum   'Zn3 Re3'
_cell_volume   88.1
_cell_formula_units_Z   3
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  0.26  0.0  0.27  1.0
  Zn  Zn4  1  0.46  0.0  0.86  1.0
  Zn  Zn5  1  0.5  0.0  0.94  1.0
  Re  Re0  1  0.37  0.0  0.76  1.0
  Re  Re1  1  0.02  0.0  0.15  1.0
  Re  Re2  1  0.1  0.0  0.12  1.0

data_ZnRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.14
_cell_length_c   6.52
_cell_angle_alpha   104.87
_cell_angle_beta   90.0
_cell_angle_gamma   106.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe
_chemical_formula_sum   'Zn3 Re3'
_cell_volume   88.1
_cell_formula_units_Z   3
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  0.06  1.0
  Zn  Zn1  1  0.0  0.54  0.14  1.0
  Zn  Zn2  1  0.0  0.74  0.73  1.0
  Re  Re3  1  0.0  0.63  0.24  1.0
  Re  Re4  1  0.0  0.9  0.88  1.0
  Re  Re5  1  0.0  0.98  0.85  1.0

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