data_ScPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   133.11
_cell_angle_beta   133.11
_cell_angle_gamma   68.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPt2Pb
_chemical_formula_sum   'Sc1 Pt2 Pb1'
_cell_volume   75.47
_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  Pt1  1  0.0  0.0  0.33  1.0
  Pt  Pt2  1  0.0  0.09  0.17  1.0
  Pb  Pb0  1  0.09  0.0  0.17  1.0

data_ScPt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.24
_cell_angle_alpha   113.45
_cell_angle_beta   113.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPt2Pb
_chemical_formula_sum   'Sc1 Pt2 Pb1'
_cell_volume   75.47
_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  0.08  0.17  0.08  1.0
  Pt  Pt2  1  0.33  0.33  0.33  1.0
  Pb  Pb3  1  0.17  0.08  0.08  1.0

Sc Pt Pt Pb
Sc Pt Pt Pb 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 