data_CaPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   4.74
_cell_angle_alpha   91.96
_cell_angle_beta   91.96
_cell_angle_gamma   35.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPtCl2
_chemical_formula_sum   'Ca1 Pt1 Cl2'
_cell_volume   110.57
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.94  0.0  0.37  1.0
  Cl  Cl1  1  0.08  0.0  0.71  1.0
  Cl  Cl2  1  0.8  0.0  0.03  1.0

data_CaPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.74
_cell_length_c   6.33
_cell_angle_alpha   91.96
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPtCl2
_chemical_formula_sum   'Ca1 Pt1 Cl2'
_cell_volume   110.57
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.37  0.94  1.0
  Cl  Cl2  1  0.0  0.03  0.8  1.0
  Cl  Cl3  1  0.0  0.71  0.08  1.0

Ca Pt Cl Cl