data_[Sm12Bi6Sb2Te4]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6224]
_cell_length_b [4.5213]
_cell_length_c [9.0184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Bi3SbTe2]
_chemical_formula_sum '[Sm12 Bi6 Sb2 Te4]'
_cell_volume [779.1035]
_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  4  0.0008  0.0000  0.7558  1.0
  Sm  Sm1  4  0.1641  0.5000  0.0798  1.0
  Sm  Sm2  4  0.1652  0.5000  0.5850  1.0
  Bi  Bi3  4  0.1681  0.0000  0.8333  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
  Te  Te6  4  0.1670  0.0000  0.3342  1.0
]