data_CaPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   130.53
_cell_angle_beta   113.56
_cell_angle_gamma   87.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPtCl2
_chemical_formula_sum   'Ca1 Pt1 Cl2'
_cell_volume   82.64
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.62  1.0
  Cl  Cl1  1  0.0  0.74  0.59  1.0
  Cl  Cl2  1  0.09  0.0  0.03  1.0

data_CaPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   66.44
_cell_angle_beta   65.26
_cell_angle_gamma   65.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPtCl2
_chemical_formula_sum   'Ca1 Pt1 Cl2'
_cell_volume   82.64
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.62  -0.0  0.38  1.0
  Cl  Cl2  1  0.59  -0.0  0.15  1.0
  Cl  Cl3  1  0.94  0.09  0.97  1.0

Ca Pt Cl Cl