data_[Na6Pt1]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.6931]
_cell_length_b [8.6931]
_cell_length_c [15.0000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Na6Pt]
_chemical_formula_sum '[Na6 Pt1]'
_cell_volume [981.6891]
_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  6  0.1989  0.3978  0.5000  1
  Pt  Pt1  1  0.0000  0.0000  0.5000  1
]