data_[La12In2Bi4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2194]
_cell_length_b [4.6067]
_cell_length_c [9.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6InBi2Te3]
_chemical_formula_sum '[La12 In2 Bi4 Te6]'
_cell_volume [849.0440]
_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
[
  La  La0  4  0.0002  0.0000  0.7525  1
  La  La1  4  0.1644  0.5000  0.0831  1
  La  La2  4  0.1671  0.5000  0.5829  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.1669  0.0000  0.3347  1
  Te  Te5  4  0.1683  0.0000  0.8335  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]