data_ScSn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   136.17
_cell_angle_beta   136.17
_cell_angle_gamma   63.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Pt
_chemical_formula_sum   'Sc1 Sn2 Pt1'
_cell_volume   85.22
_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  Sc1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.11  0.0  0.4  1.0
  Sn  Sn3  1  0.0  0.11  0.4  1.0
  Pt  Pt0  1  0.0  0.0  0.8  1.0

data_ScSn2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   121.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSn2Pt
_chemical_formula_sum   'Sc2 Sn4 Pt2'
_cell_volume   170.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.45  0.45  0.29  1.0
  Pt  Pt2  2  0.0  0.0  0.8  1.0

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