data_ZrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   151.57
_cell_angle_beta   67.55
_cell_angle_gamma   120.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl3
_chemical_formula_sum   'Zr1 Cl3'
_cell_volume   116.64
_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  0.62  0.0  0.93  1.0
  Cl  Cl0  1  0.0  0.73  0.89  1.0
  Cl  Cl1  1  0.62  0.75  0.61  1.0
  Cl  Cl2  1  0.0  0.0  0.53  1.0

data_ZrCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.58
_cell_length_c   6.59
_cell_angle_alpha   119.92
_cell_angle_beta   104.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl3
_chemical_formula_sum   'Zr1 Cl3'
_cell_volume   116.64
_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  Zr0  1  0.93  0.93  0.55  1.0
  Cl  Cl1  1  0.53  0.53  0.53  1.0
  Cl  Cl2  1  0.61  0.86  0.47  1.0
  Cl  Cl3  1  0.89  0.16  0.16  1.0

Zr Cl Cl Cl