data_ZrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   9.39
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl3
_chemical_formula_sum   'Zr2 Cl6'
_cell_volume   188.25
_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  Zr6  1  0.59  0.0  0.4  1.0
  Zr  Zr7  1  0.0  0.7  0.48  1.0
  Cl  Cl0  1  0.0  0.0  0.3  1.0
  Cl  Cl1  1  0.59  0.7  0.57  1.0
  Cl  Cl2  1  0.59  0.75  0.48  1.0
  Cl  Cl3  1  0.59  0.64  0.48  1.0
  Cl  Cl4  1  0.0  0.06  0.4  1.0
  Cl  Cl5  1  0.0  0.33  0.4  1.0

data_ZrCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.18
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl3
_chemical_formula_sum   'Zr2 Cl6'
_cell_volume   188.25
_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  Zr0  1  0.4  0.59  0.0  1.0
  Zr  Zr1  1  0.48  0.0  0.7  1.0
  Cl  Cl2  1  0.3  0.0  0.0  1.0
  Cl  Cl3  1  0.4  0.0  0.06  1.0
  Cl  Cl4  1  0.4  0.0  0.33  1.0
  Cl  Cl5  1  0.48  0.59  0.64  1.0
  Cl  Cl6  1  0.48  0.59  0.75  1.0
  Cl  Cl7  1  0.57  0.59  0.7  1.0

Zr Zr Cl Cl Cl Cl Cl Cl