data_[Sm8Tm12Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.0937]
_cell_length_b [16.4713]
_cell_length_c [9.0645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm2Tm3Tl4]
_chemical_formula_sum '[Sm8 Tm12 Tl16]'
_cell_volume [1059.1097]
_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  8  0.0000  0.1103  0.5773  1
  Tm  Tm1  8  0.2500  0.2140  0.2500  1
  Tm  Tm2  4  0.0000  0.0000  0.0000  1
  Tl  Tl3  8  0.0000  0.1859  0.9571  1
  Tl  Tl4  8  0.2500  0.0306  0.2500  1
]