data_[La12Bi4Te24]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.4133]
_cell_length_b [15.5499]
_cell_length_c [7.8444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3BiTe6]
_chemical_formula_sum '[La12 Bi4 Te24]'
_cell_volume [1514.1726]
_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
[
  La  La0  8  0.1824  0.0988  0.5149  1.0
  La  La1  4  0.0000  0.4052  0.6235  1.0
  Bi  Bi2  4  0.0000  0.1767  0.9959  1.0
  Te  Te3  8  0.1647  0.4651  0.3215  1.0
  Te  Te4  8  0.1711  0.2640  0.7964  1.0
  Te  Te5  4  0.0000  0.0054  0.7585  1.0
  Te  Te6  4  0.0000  0.2333  0.3710  1.0
]