data_[Na2La2Tl4Cl12]
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
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4787]
_cell_length_b [7.8715]
_cell_length_c [13.0095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaLa(TlCl3)2]
_chemical_formula_sum '[Na2 La2 Tl4 Cl12]'
_cell_volume [633.7509]
_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  2  0.5000  0.0000  0.0000  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2772  0.0692  0.2544  1.0
  Cl  Cl3  4  0.1413  0.0331  0.7487  1.0
  Cl  Cl4  4  0.2476  0.7054  0.5558  1.0
  Cl  Cl5  4  0.3533  0.1946  0.5504  1.0
]