data_[Sm4Sc24Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7489]
_cell_length_b [12.0614]
_cell_length_c [8.1160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm(Sc2Tl)3]
_chemical_formula_sum '[Sm4 Sc24 Tl12]'
_cell_volume [1052.2121]
_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  4  0.0000  0.3062  0.0019  1
  Sc  Sc1  8  0.1671  0.4317  0.3390  1
  Sc  Sc2  8  0.2416  0.1785  0.1949  1
  Sc  Sc3  4  0.0000  0.0242  0.8008  1
  Sc  Sc4  4  0.0000  0.2314  0.4182  1
  Tl  Tl5  8  0.1920  0.0866  0.5415  1
  Tl  Tl6  4  0.0000  0.4219  0.6430  1
]