data_[Sm20Tl8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [8.6978]
_cell_length_b [8.6978]
_cell_length_c [12.9540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sm5Tl2In]
_chemical_formula_sum '[Sm20 Tl8 In4]'
_cell_volume [980.0022]
_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  0.1541  0.3459  0.3481  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.1462  0.3538  0.0000  1.0
  In  In3  4  0.0000  0.0000  0.2500  1.0
]