data_[La12Tl10Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6547]
_cell_length_b [16.9782]
_cell_length_c [7.8968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La6Tl5Sn]
_chemical_formula_sum '[La12 Tl10 Sn2]'
_cell_volume [758.1445]
_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
[
  La  La0  8  0.0000  0.1638  0.2510  1.0
  La  La1  4  0.0000  0.5000  0.2446  1.0
  Tl  Tl2  4  0.0000  0.3271  0.0000  1.0
  Tl  Tl3  4  0.0000  0.3332  0.5000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn5  2  0.0000  0.0000  0.0000  1.0
]