data_[Bi8Te4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.3765]
_cell_length_b [16.5641]
_cell_length_c [5.3935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Bi2TeO6]
_chemical_formula_sum '[Bi8 Te4 O24]'
_cell_volume [480.3332]
_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
[
  Bi  Bi0  8  0.0000  0.1721  0.5078  1
  Te  Te1  4  0.0000  0.0000  0.0000  1
  O  O2  8  0.0000  0.1109  0.9212  1
  O  O3  8  0.2500  0.0307  0.2500  1
  O  O4  8  0.2500  0.2497  0.7500  1
]