data_[La2Sm10Tl10]
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 [16.4154]
_cell_length_b [6.1243]
_cell_length_c [7.2463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(SmTl)5]
_chemical_formula_sum '[La2 Sm10 Tl10]'
_cell_volume [721.1240]
_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  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.1397  0.5000  0.4028  1
  Sm  Sm2  4  0.1801  0.5000  0.9129  1
  Sm  Sm3  2  0.0000  0.0000  0.5000  1
  Tl  Tl4  4  0.1690  0.0000  0.2966  1
  Tl  Tl5  4  0.1745  0.0000  0.7375  1
  Tl  Tl6  2  0.0000  0.5000  0.0000  1
]