data_ZrReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   19.18
_cell_angle_beta   19.18
_cell_angle_gamma   19.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReCl2
_chemical_formula_sum   'Zr1 Re1 Cl2'
_cell_volume   80.58
_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
  Zr  Zr3  1  0.0  0.0  0.94  1.0
  Re  Re2  1  0.0  0.0  0.08  1.0
  Cl  Cl0  1  0.0  0.0  0.47  1.0
  Cl  Cl1  1  0.0  0.0  0.4  1.0

data_ZrReCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   3.16
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   101.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrReCl2
_chemical_formula_sum   'Zr2 Re2 Cl4'
_cell_volume   161.15
_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
  Zr  Zr0  2  -0.0  0.0  0.06  1.0
  Re  Re1  2  -0.0  0.0  0.92  1.0
  Cl  Cl2  2  0.0  0.0  0.53  1.0
  Cl  Cl3  2  0.0  0.0  0.6  1.0

Zr Re Cl Cl