data_[Na6Ta2Pt4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7962]
_cell_length_b [11.7306]
_cell_length_c [7.1036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ta(PtSe3)2]
_chemical_formula_sum '[Na6 Ta2 Pt4 Se12]'
_cell_volume [536.4552]
_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  4  0.0000  0.1680  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2329  0.1672  0.1992  1
  Se  Se5  4  0.2314  0.5000  0.1987  1
]