data_[La24Bi12Sb3Te9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [R-3m]
_cell_length_a [9.3135]
_cell_length_b [9.3135]
_cell_length_c [22.7364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La8Bi4SbTe3]
_chemical_formula_sum '[La24 Bi12 Sb3 Te9]'
_cell_volume [1707.9583]
_cell_formula_units_Z [3]
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
[
  La  La0  18  0.0034  0.5017  0.7496  1
  La  La1  6  0.0000  0.0000  0.2495  1
  Bi  Bi2  9  0.0000  0.5000  0.5000  1
  Bi  Bi3  3  -0.0000  -0.0000  0.5000  1
  Sb  Sb4  3  -0.0000  -0.0000  0.0000  1
  Te  Te5  9  0.0000  0.5000  0.0000  1
]