data_[Sm14Sc2Tl4]
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 [Cmmm]
_cell_length_a [9.3029]
_cell_length_b [16.0234]
_cell_length_c [5.2064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm7ScTl2]
_chemical_formula_sum '[Sm14 Sc2 Tl4]'
_cell_volume [776.0927]
_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  8  0.1817  0.1158  0.5000  1
  Sm  Sm1  4  0.0000  0.2183  0.0000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  4  0.0000  0.3070  0.5000  1
]