data_[Sm20Y4Tl4In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7738]
_cell_length_b [8.7738]
_cell_length_c [14.2470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sm5YTlIn2]
_chemical_formula_sum '[Sm20 Y4 Tl4 In8]'
_cell_volume [1096.7216]
_cell_formula_units_Z [4]
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  16  0.2074  0.2926  0.3668  1
  Sm  Sm1  4  0.0000  0.0000  0.0000  1
  Y  Y2  4  0.0000  0.5000  0.2500  1
  Tl  Tl3  4  0.0000  0.0000  0.2500  1
  In  In4  8  0.1086  0.3914  0.0000  1
]