data_NaSc2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   125.91
_cell_angle_beta   119.13
_cell_angle_gamma   85.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSc2Pt
_chemical_formula_sum   'Na1 Sc2 Pt1'
_cell_volume   78.72
_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  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.22  0.0  0.88  1.0
  Sc  Sc3  1  0.0  0.47  0.7  1.0
  Pt  Pt1  1  0.0  0.0  0.58  1.0

data_NaSc2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.87
_cell_angle_beta   62.95
_cell_angle_gamma   62.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSc2Pt
_chemical_formula_sum   'Na1 Sc2 Pt1'
_cell_volume   78.72
_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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.66  0.22  0.12  1.0
  Sc  Sc2  1  0.7  0.0  0.78  1.0
  Pt  Pt3  1  0.58  0.0  0.42  1.0

Na Sc Sc Pt