data_ZrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl2
_chemical_formula_sum   'Zr2 Cl4'
_cell_volume   139.47
_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  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.29  0.29  0.61  1.0
  Cl  Cl0  1  0.83  0.83  0.0  1.0
  Cl  Cl1  1  0.75  0.75  0.0  1.0
  Cl  Cl2  1  0.12  0.46  0.61  1.0
  Cl  Cl3  1  0.46  0.12  0.61  1.0

data_ZrCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCl2
_chemical_formula_sum   'Zr4 Cl8'
_cell_volume   278.93
_cell_formula_units_Z   4
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
  Zr  Zr1  2  0.29  0.0  0.61  1.0
  Cl  Cl2  4  0.29  0.17  0.61  1.0
  Cl  Cl3  2  0.25  0.5  0.0  1.0
  Cl  Cl4  2  0.33  0.5  0.0  1.0

Zr Zr Cl Cl Cl Cl