data_[La2Bi6Te12]
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 [P2_1/m]
_cell_length_a [13.2108]
_cell_length_b [4.4579]
_cell_length_c [13.2814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(BiTe2)3]
_chemical_formula_sum '[La2 Bi6 Te12]'
_cell_volume [734.9318]
_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  2  0.3043  0.2500  0.9578  1.0
  Bi  Bi1  2  0.1025  0.7500  0.1493  1.0
  Bi  Bi2  2  0.1584  0.2500  0.5542  1.0
  Bi  Bi3  2  0.4613  0.7500  0.7001  1.0
  Te  Te4  2  0.0675  0.7500  0.3917  1.0
  Te  Te5  2  0.1014  0.7500  0.9225  1.0
  Te  Te6  2  0.2571  0.7500  0.7531  1.0
  Te  Te7  2  0.2670  0.2500  0.1981  1.0
  Te  Te8  2  0.3807  0.2500  0.5297  1.0
  Te  Te9  2  0.4719  0.7500  0.1048  1.0
]