data_NaPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   146.79
_cell_angle_beta   125.95
_cell_angle_gamma   64.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPtSe
_chemical_formula_sum   'Na1 Pt1 Se1'
_cell_volume   59.13
_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  0.04  1.0
  Pt  Pt1  1  0.0  0.0  0.51  1.0
  Se  Se2  1  0.0  0.0  0.1  1.0

data_NaPtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.66
_cell_length_c   5.13
_cell_angle_alpha   117.03
_cell_angle_beta   106.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPtSe
_chemical_formula_sum   'Na1 Pt1 Se1'
_cell_volume   59.13
_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  0.96  0.96  0.96  1.0
  Pt  Pt1  1  0.49  0.49  0.49  1.0
  Se  Se2  1  0.9  0.9  0.9  1.0

Na Pt Se