data_[Na2Pt4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.5335]
_cell_length_b [7.5335]
_cell_length_c [5.8169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaPt2Se3]
_chemical_formula_sum '[Na2 Pt4 Se6]'
_cell_volume [285.9021]
_cell_formula_units_Z [2]
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  2  0.3333  0.6667  0.3681  1.0
  Pt  Pt1  3  0.0000  0.5000  0.0000  1.0
  Pt  Pt2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  6  0.1714  0.3428  0.7888  1.0
]