data_[Na6Se2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8480]
_cell_length_b [7.1170]
_cell_length_c [12.1492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3SeCl6]
_chemical_formula_sum '[Na6 Se2 Cl12]'
_cell_volume [522.4404]
_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  0.2271  0.0838  0.7354  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Se  Se2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0975  0.2093  0.4351  1.0
  Cl  Cl4  4  0.1954  0.6760  0.4106  1.0
  Cl  Cl5  4  0.4017  0.0639  0.2596  1.0
]