data_[Sm36Ho21Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1635]
_cell_length_b [12.1635]
_cell_length_c [15.4003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12Ho7Tl]
_chemical_formula_sum '[Sm36 Ho21 Tl3]'
_cell_volume [1973.2138]
_cell_formula_units_Z [3]
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  18  0.0293  0.4507  0.7119  1
  Sm  Sm1  18  0.0571  0.5886  0.0846  1
  Ho  Ho2  18  0.0512  0.1861  0.8023  1
  Ho  Ho3  3  -0.0000  0.0000  0.5000  1
  Tl  Tl4  3  0.0000  0.0000  0.0000  1
]