data_NaSi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.28
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Pt
_chemical_formula_sum   'Na1 Si2 Pt1'
_cell_volume   67.73
_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
  Si  Si2  1  0.41  0.14  0.08  1.0
  Si  Si3  1  0.41  0.14  0.55  1.0
  Pt  Pt1  1  0.41  0.0  0.81  1.0

data_NaSi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.28
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Pt
_chemical_formula_sum   'Na1 Si2 Pt1'
_cell_volume   67.73
_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
  Si  Si1  1  0.41  0.14  0.08  1.0
  Si  Si2  1  0.41  0.14  0.55  1.0
  Pt  Pt3  1  0.41  0.0  0.81  1.0

Na Si Si Pt
Na Si Si Pt 0 3 o o - 0 1 o o o 1 3 o o - 2 3 o o o 