data_ScPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   146.34
_cell_angle_beta   132.21
_cell_angle_gamma   59.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPtPb2
_chemical_formula_sum   'Sc1 Pt1 Pb2'
_cell_volume   96.11
_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  0.57  1.0
  Pt  Pt2  1  0.0  0.5  0.26  1.0
  Pb  Pb0  1  0.0  0.5  0.28  1.0
  Pb  Pb1  1  0.0  0.0  0.97  1.0

data_ScPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.01
_cell_length_c   6.18
_cell_angle_alpha   113.89
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPtPb2
_chemical_formula_sum   'Sc1 Pt1 Pb2'
_cell_volume   96.11
_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  0.43  0.43  0.43  1.0
  Pt  Pt1  1  0.74  0.24  0.24  1.0
  Pb  Pb2  1  0.03  0.03  0.03  1.0
  Pb  Pb3  1  0.72  0.22  0.22  1.0

Sc Pt Pb Pb