data_[La6Sm8Tl2]
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 [Pmmn]
_cell_length_a [5.0127]
_cell_length_b [10.2871]
_cell_length_c [10.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La3Sm4Tl]
_chemical_formula_sum '[La6 Sm8 Tl2]'
_cell_volume [529.4538]
_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  4  0.0000  0.2502  0.3837  1
  La  La1  2  0.0000  0.5000  0.6242  1
  Sm  Sm2  4  0.0000  0.2453  0.8747  1
  Sm  Sm3  2  0.0000  0.0000  0.1258  1
  Sm  Sm4  2  0.0000  0.5000  0.1265  1
  Tl  Tl5  2  0.0000  0.0000  0.6329  1
]