data_[Sm2Sc14Tl8]
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 [C2/m]
_cell_length_a [13.1109]
_cell_length_b [5.3527]
_cell_length_c [10.6020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmSc7Tl4]
_chemical_formula_sum '[Sm2 Sc14 Tl8]'
_cell_volume [617.7113]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0551  0.0000  0.3794  1
  Sc  Sc2  4  0.1660  0.5000  0.5906  1
  Sc  Sc3  4  0.2177  0.0000  0.8801  1
  Sc  Sc4  2  0.0000  0.5000  0.0000  1
  Tl  Tl5  4  0.0808  0.5000  0.7866  1
  Tl  Tl6  4  0.1968  0.5000  0.3257  1
]