data_ScSnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   122.23
_cell_angle_beta   121.64
_cell_angle_gamma   86.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnPt2
_chemical_formula_sum   'Sc1 Sn1 Pt2'
_cell_volume   72.73
_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  Sc2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.44  1.0
  Pt  Pt0  1  0.0  0.31  0.65  1.0
  Pt  Pt1  1  0.29  0.0  0.8  1.0

data_ScSnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.62
_cell_length_c   4.73
_cell_angle_alpha   119.18
_cell_angle_beta   118.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnPt2
_chemical_formula_sum   'Sc1 Sn1 Pt2'
_cell_volume   72.73
_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
  Sn  Sn1  1  0.0  0.44  0.44  1.0
  Pt  Pt2  1  0.0  0.8  0.51  1.0
  Pt  Pt3  1  0.69  0.34  0.34  1.0

Sc Sn Pt Pt
Sc Sn Pt Pt 0 3 o o - 0 1 o o o 1 2 o o o 1 3 o o o 