data_[La4Tl4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [9.7108]
_cell_length_b [13.5668]
_cell_length_c [7.3034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaTlCl4]
_chemical_formula_sum '[La4 Tl4 Cl16]'
_cell_volume [796.0475]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0000  0.0113  0.7500  1.0
  Tl  Tl1  4  0.0000  0.3618  0.2500  1.0
  Cl  Cl2  8  0.1002  0.1590  0.5586  1.0
  Cl  Cl3  8  0.2309  0.4420  0.7893  1.0
]