data_ZrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26
_cell_length_b   9.26
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   159.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl2
_chemical_formula_sum   'Zr2 Cl4'
_cell_volume   143.18
_cell_formula_units_Z   2
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  Zr4  1  0.64  0.97  0.2  1.0
  Zr  Zr5  1  0.64  0.03  0.59  1.0
  Cl  Cl0  1  0.64  0.99  0.2  1.0
  Cl  Cl1  1  0.64  0.01  0.59  1.0
  Cl  Cl2  1  0.64  0.85  0.2  1.0
  Cl  Cl3  1  0.64  0.15  0.59  1.0

data_ZrCl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.29
_cell_length_b   4.78
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrCl2
_chemical_formula_sum   'Zr2 Cl4'
_cell_volume   143.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Zr0  2  0.03  0.3  0.03  1.0
  Cl  Cl1  2  0.01  0.3  0.01  1.0
  Cl  Cl2  2  0.15  0.3  0.15  1.0

Zr Zr Cl Cl Cl Cl