data_Na2ScPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   5.21
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScPt
_chemical_formula_sum   'Na2 Sc1 Pt1'
_cell_volume   84.43
_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
  Na  Na0  1  0.49  0.61  0.46  1.0
  Na  Na1  1  0.49  0.61  0.97  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.72  1.0

data_Na2ScPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.21
_cell_length_b   2.98
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2ScPt
_chemical_formula_sum   'Na2 Sc1 Pt1'
_cell_volume   84.43
_cell_formula_units_Z   1
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
  Na  Na0  1  0.61  0.5  0.46  1.0
  Na  Na1  1  0.61  0.5  0.97  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.72  1.0

Na Na Sc Pt