data_[Sm16Bi8Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.4811]
_cell_length_b [9.4811]
_cell_length_c [9.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Sm4Bi2Te]
_chemical_formula_sum '[Sm16 Bi8 Te4]'
_cell_volume [858.9068]
_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  16  0.0726  0.1819  0.3011  1.0
  Bi  Bi1  8  0.1216  0.2500  0.6250  1.0
  Te  Te2  4  0.0000  0.0000  0.0000  1.0
]