data_ScPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.52
_cell_angle_alpha   93.72
_cell_angle_beta   93.72
_cell_angle_gamma   30.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPtCl2
_chemical_formula_sum   'Sc1 Pt1 Cl2'
_cell_volume   96.19
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.11  0.0  0.26  1.0
  Cl  Cl0  1  0.04  0.0  0.94  1.0
  Cl  Cl1  1  0.17  0.0  0.57  1.0

data_ScPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.52
_cell_length_c   6.49
_cell_angle_alpha   93.72
_cell_angle_beta   105.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPtCl2
_chemical_formula_sum   'Sc1 Pt1 Cl2'
_cell_volume   96.19
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.26  0.11  1.0
  Cl  Cl2  1  0.0  0.57  0.17  1.0
  Cl  Cl3  1  0.0  0.94  0.04  1.0

Sc Pt Cl Cl