data_ScPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPt
_chemical_formula_sum   'Sc2 Pt2'
_cell_volume   82.0
_cell_formula_units_Z   2
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  0.32  0.74  0.39  1.0
  Sc  Sc3  1  0.32  0.26  0.62  1.0
  Pt  Pt0  1  0.32  0.74  0.41  1.0
  Pt  Pt1  1  0.32  0.26  0.61  1.0

data_ScPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.78
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScPt
_chemical_formula_sum   'Sc2 Pt2'
_cell_volume   82.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.26  0.62  1.0
  Pt  Pt1  2  0.0  0.26  0.6  1.0

Sc Sc Pt Pt