data_SrPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   150.91
_cell_angle_beta   149.4
_cell_angle_gamma   42.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPtCl2
_chemical_formula_sum   'Sr1 Pt1 Cl2'
_cell_volume   102.82
_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  0.58  1.0
  Pt  Pt2  1  0.0  0.97  0.23  1.0
  Cl  Cl0  1  0.88  0.0  0.26  1.0
  Cl  Cl1  1  0.0  0.0  0.83  1.0

data_SrPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.94
_cell_length_c   7.47
_cell_angle_alpha   105.3
_cell_angle_beta   104.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPtCl2
_chemical_formula_sum   'Sr1 Pt1 Cl2'
_cell_volume   102.82
_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  0.58  0.58  1.0
  Pt  Pt1  1  0.03  0.26  0.26  1.0
  Cl  Cl2  1  0.0  0.26  0.39  1.0
  Cl  Cl3  1  0.0  0.83  0.83  1.0

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