data_ScIn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   129.86
_cell_angle_beta   129.86
_cell_angle_gamma   73.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Pt
_chemical_formula_sum   'Sc1 In2 Pt1'
_cell_volume   80.23
_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
  In  In0  1  0.2  0.0  0.08  1.0
  In  In1  1  0.0  0.0  0.15  1.0
  Pt  Pt2  1  0.0  0.2  0.08  1.0

data_ScIn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.19
_cell_angle_alpha   115.07
_cell_angle_beta   115.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Pt
_chemical_formula_sum   'Sc1 In2 Pt1'
_cell_volume   80.23
_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
  In  In1  1  0.08  0.88  0.88  1.0
  In  In2  1  0.15  0.15  0.15  1.0
  Pt  Pt3  1  0.88  0.08  0.88  1.0

Sc In In Pt