data_ZnRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe3
_chemical_formula_sum   'Zn1 Re3'
_cell_volume   59.65
_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  0.39  0.8  0.24  1.0
  Re  Re1  1  0.39  0.8  0.64  1.0
  Re  Re2  1  0.0  0.0  0.44  1.0

data_ZnRe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   2.79
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnRe3
_chemical_formula_sum   'Zn2 Re6'
_cell_volume   119.3
_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  2  0.0  0.0  0.44  1.0
  Re  Re2  2  0.4  0.0  0.24  1.0
  Re  Re3  2  0.4  0.0  0.64  1.0

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