data_Zn3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Re
_chemical_formula_sum   'Zn3 Re1'
_cell_volume   58.39
_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  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.6  0.57  1.0
  Zn  Zn3  1  0.0  0.6  0.16  1.0
  Re  Re0  1  0.0  0.0  0.36  1.0

data_Zn3Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.78
_cell_length_b   4.81
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn3Re
_chemical_formula_sum   'Zn6 Re2'
_cell_volume   116.79
_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
  Zn  Zn1  2  0.1  0.5  0.16  1.0
  Zn  Zn2  2  0.1  0.5  0.57  1.0
  Re  Re3  2  0.0  0.0  0.36  1.0

Zn Zn Zn Re