data_SrPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.33
_cell_length_c   5.0
_cell_angle_alpha   64.63
_cell_angle_beta   60.64
_cell_angle_gamma   54.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPtCl2
_chemical_formula_sum   'Sr1 Pt1 Cl2'
_cell_volume   102.7
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.38  0.68  0.13  1.0
  Cl  Cl0  1  0.0  0.84  0.06  1.0
  Cl  Cl1  1  0.38  0.84  0.06  1.0

data_SrPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.33
_cell_angle_alpha   115.37
_cell_angle_beta   115.37
_cell_angle_gamma   94.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPtCl2
_chemical_formula_sum   'Sr1 Pt1 Cl2'
_cell_volume   102.7
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.81  0.32  0.94  1.0
  Cl  Cl2  1  0.1  0.16  0.16  1.0
  Cl  Cl3  1  0.72  0.16  0.78  1.0

Sr Pt Cl Cl
Sr Pt Cl Cl 0 2 o - o 1 3 o o o 