data_[La16Sm2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9015]
_cell_length_b [6.9925]
_cell_length_c [6.3124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8SmTl2]
_chemical_formula_sum '[La16 Sm2 Tl4]'
_cell_volume [766.9930]
_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  0.1748  0.2655  0.1115  1.0
  La  La1  4  0.0037  0.5000  0.7419  1.0
  La  La2  4  0.1268  0.0000  0.5737  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  4  0.1778  0.5000  0.6020  1.0
]