data_[Sm12Bi4Te24]
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 [Cmc2_1]
_cell_length_a [12.1272]
_cell_length_b [15.2439]
_cell_length_c [7.6831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm3BiTe6]
_chemical_formula_sum '[Sm12 Bi4 Te24]'
_cell_volume [1420.3365]
_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  8  0.1817  0.0990  0.9866  1.0
  Sm  Sm1  4  0.0000  0.4092  0.8717  1.0
  Bi  Bi2  4  0.0000  0.1786  0.5012  1.0
  Te  Te3  8  0.1666  0.4621  0.1742  1.0
  Te  Te4  8  0.1722  0.2686  0.7124  1.0
  Te  Te5  4  0.0000  0.0034  0.7465  1.0
  Te  Te6  4  0.0000  0.2343  0.1196  1.0
]