data_[La12Ge4Bi6Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  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 [20.0613]
_cell_length_b [4.5653]
_cell_length_c [9.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2Bi3Te]
_chemical_formula_sum '[La12 Ge4 Bi6 Te2]'
_cell_volume [822.0275]
_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  0.0077  0.0000  0.2561  1.0
  La  La1  4  0.1683  0.5000  0.0994  1.0
  La  La2  4  0.1712  0.5000  0.5730  1.0
  Ge  Ge3  4  0.1668  0.0000  0.3330  1.0
  Bi  Bi4  4  0.1627  0.0000  0.8333  1.0
  Bi  Bi5  2  0.0000  0.5000  0.5000  1.0
  Te  Te6  2  0.0000  0.5000  0.0000  1.0
]