data_[Na4Ta2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7739]
_cell_length_b [7.1022]
_cell_length_c [11.6250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2TaCl6]
_chemical_formula_sum '[Na4 Ta2 Cl12]'
_cell_volume [478.0387]
_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  0.1819  0.6010  0.2195  1
  Ta  Ta1  2  0.5000  0.0000  0.5000  1
  Cl  Cl2  4  0.1533  0.6821  0.9413  1
  Cl  Cl3  4  0.2709  0.2169  0.9263  1
  Cl  Cl4  4  0.4238  0.5504  0.7742  1
]