data_NaPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.28
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   103.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPt2Se
_chemical_formula_sum   'Na1 Pt2 Se1'
_cell_volume   72.28
_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  0.85  0.0  0.36  1.0
  Pt  Pt1  1  0.73  0.14  0.24  1.0
  Pt  Pt2  1  0.3  0.0  0.41  1.0
  Se  Se3  1  0.32  0.14  0.75  1.0

data_NaPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.28
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   103.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPt2Se
_chemical_formula_sum   'Na1 Pt2 Se1'
_cell_volume   72.28
_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  0.85  0.0  0.36  1.0
  Pt  Pt1  1  0.3  0.0  0.41  1.0
  Pt  Pt2  1  0.73  0.14  0.24  1.0
  Se  Se3  1  0.32  0.14  0.75  1.0

Na Pt Pt Se
Na Pt Pt Se 0 1 o o o 0 2 + o o 0 3 + o o 2 3 o o o 