data_ZnRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   132.63
_cell_angle_beta   132.63
_cell_angle_gamma   69.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe3
_chemical_formula_sum   'Zn1 Re3'
_cell_volume   58.21
_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  0.0  0.0  0.0  1.0
  Re  Re0  1  0.0  0.92  0.97  1.0
  Re  Re1  1  0.92  0.0  0.97  1.0
  Re  Re2  1  0.0  0.0  0.94  1.0

data_ZnRe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   124.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnRe3
_chemical_formula_sum   'Zn2 Re6'
_cell_volume   116.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  4  0.04  0.04  0.05  1.0
  Re  Re2  2  0.0  0.0  0.94  1.0

Zn Re Re Re