data_[La12Sm6Tl2]
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 [P2_1/m]
_cell_length_a [12.3762]
_cell_length_b [3.6961]
_cell_length_c [15.6350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6Sm3Tl]
_chemical_formula_sum '[La12 Sm6 Tl2]'
_cell_volume [705.7278]
_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  0.1012  0.2500  0.9687  1
  La  La1  2  0.1758  0.7500  0.1704  1
  La  La2  2  0.1805  0.2500  0.3803  1
  La  La3  2  0.3183  0.2500  0.7417  1
  La  La4  2  0.3873  0.7500  0.5389  1
  La  La5  2  0.4226  0.2500  0.1038  1
  Sm  Sm6  2  0.0640  0.7500  0.7752  1
  Sm  Sm7  2  0.1114  0.7500  0.5680  1
  Sm  Sm8  2  0.4135  0.7500  0.3125  1
  Tl  Tl9  2  0.3103  0.7500  0.9236  1
]