data_Zn2ReCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.51
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReCl
_chemical_formula_sum   'Zn2 Re1 Cl1'
_cell_volume   67.21
_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  Zn2  1  0.0  0.0  0.14  1.0
  Zn  Zn3  1  0.38  0.25  0.58  1.0
  Re  Re1  1  0.38  0.25  0.4  1.0
  Cl  Cl0  1  0.0  0.0  0.4  1.0

data_Zn2ReCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.51
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReCl
_chemical_formula_sum   'Zn2 Re1 Cl1'
_cell_volume   67.21
_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  Zn0  1  0.0  0.0  0.14  1.0
  Zn  Zn1  1  0.38  0.25  0.58  1.0
  Re  Re2  1  0.38  0.25  0.4  1.0
  Cl  Cl3  1  0.0  0.0  0.4  1.0

Zn Zn Re Cl
Zn Zn Re Cl 0 3 o o o 1 2 o o o 2 3 o o o 