data_[Na8Pt2Se8]
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-42_1c]
_cell_length_a [8.2507]
_cell_length_b [8.2507]
_cell_length_c [6.7731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [114]
_chemical_formula_structural [Na4PtSe4]
_chemical_formula_sum '[Na8 Pt2 Se8]'
_cell_volume [461.0764]
_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  8  0.0880  0.7064  0.5367  1
  Pt  Pt1  2  0.0000  0.0000  0.0000  1
  Se  Se2  8  0.0894  0.2490  0.1602  1
]