data_ZrReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05
_cell_length_b   11.05
_cell_length_c   11.05
_cell_angle_alpha   15.77
_cell_angle_beta   15.77
_cell_angle_gamma   15.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReCl2
_chemical_formula_sum   'Zr1 Re1 Cl2'
_cell_volume   86.86
_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  0.0  1.0
  Re  Re2  1  0.0  0.0  0.37  1.0
  Cl  Cl0  1  0.0  0.0  0.73  1.0
  Cl  Cl1  1  0.0  0.0  0.01  1.0

data_ZrReCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   3.03
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   99.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrReCl2
_chemical_formula_sum   'Zr2 Re2 Cl4'
_cell_volume   173.72
_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  0.0  1.0
  Re  Re1  2  -0.0  0.0  0.63  1.0
  Cl  Cl2  2  -0.0  0.0  0.99  1.0
  Cl  Cl3  2  -0.0  0.0  0.27  1.0

Zr Re Cl Cl