data_[Na6La2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1588]
_cell_length_b [7.3796]
_cell_length_c [12.6558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3LaCl6]
_chemical_formula_sum '[Na6 La2 Cl12]'
_cell_volume [559.5374]
_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  0.2864  0.5593  0.2758  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  La  La2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0981  0.5896  0.7406  1.0
  Cl  Cl4  4  0.2700  0.1895  0.5946  1.0
  Cl  Cl5  4  0.3842  0.6787  0.5545  1.0
]