data_NaInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.94
_cell_angle_alpha   104.32
_cell_angle_beta   104.32
_cell_angle_gamma   30.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInPt2
_chemical_formula_sum   'Na1 In1 Pt2'
_cell_volume   73.11
_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  Na1  1  0.5  0.0  0.92  1.0
  In  In0  1  0.89  0.0  0.67  1.0
  Pt  Pt2  1  0.25  0.0  0.18  1.0
  Pt  Pt3  1  0.92  0.0  0.39  1.0

data_NaInPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.94
_cell_length_c   5.49
_cell_angle_alpha   104.32
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInPt2
_chemical_formula_sum   'Na1 In1 Pt2'
_cell_volume   73.11
_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  0.92  0.5  1.0
  In  In1  1  0.0  0.67  0.89  1.0
  Pt  Pt2  1  0.0  0.18  0.25  1.0
  Pt  Pt3  1  0.0  0.39  0.92  1.0

Na In Pt Pt
Na In Pt Pt 0 2 o o + 1 3 o o o 2 3 - o o 