data_[Bi4Te2O12]
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 [P2_1/c]
_cell_length_a [5.8365]
_cell_length_b [6.3063]
_cell_length_c [9.1903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi2TeO6]
_chemical_formula_sum '[Bi4 Te2 O12]'
_cell_volume [282.1920]
_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
[
  Bi  Bi0  4  0.2554  0.0659  0.7564  1.0
  Te  Te1  2  0.5000  0.0000  0.5000  1.0
  O  O2  4  0.1561  0.1228  0.4487  1.0
  O  O3  4  0.3452  0.7118  0.4449  1.0
  O  O4  4  0.3994  0.0552  0.2619  1.0
]