data_[Sm6Y8Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3334]
_cell_length_b [7.1416]
_cell_length_c [6.2458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm3Y4Tl]
_chemical_formula_sum '[Sm6 Y8 Tl2]'
_cell_volume [505.5285]
_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
[
  Sm  Sm0  4  0.2396  0.6134  0.9712  1.0
  Sm  Sm1  2  0.0000  0.6291  0.6275  1.0
  Y  Y2  4  0.2392  0.1244  0.9932  1.0
  Y  Y3  2  0.0000  0.1303  0.6418  1.0
  Y  Y4  2  0.0000  0.8730  0.1644  1.0
  Tl  Tl5  2  0.0000  0.3651  0.1527  1.0
]