data_ZrPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   155.64
_cell_angle_beta   143.65
_cell_angle_gamma   44.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPtCl2
_chemical_formula_sum   'Zr1 Pt1 Cl2'
_cell_volume   104.39
_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
  Pt  Pt2  1  0.0  0.0  0.98  1.0
  Cl  Cl0  1  0.59  0.0  0.05  1.0
  Cl  Cl1  1  0.0  0.35  0.94  1.0

data_ZrPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.7
_cell_length_c   7.54
_cell_angle_alpha   108.18
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPtCl2
_chemical_formula_sum   'Zr1 Pt1 Cl2'
_cell_volume   104.39
_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  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.02  0.02  0.02  1.0
  Cl  Cl2  1  0.06  0.42  0.42  1.0
  Cl  Cl3  1  0.54  0.95  0.54  1.0

Zr Pt Cl Cl