data_[Bi3Te3N2O16]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.8604]
_cell_length_b [9.8604]
_cell_length_c [3.9965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Bi3Te3(NO8)2]
_chemical_formula_sum '[Bi3 Te3 N2 O16]'
_cell_volume [336.5116]
_cell_formula_units_Z [1]
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  3  0.0000  0.2262  0.0000  1
  Te  Te1  3  0.0000  0.6425  0.5000  1
  N  N2  2  0.3333  0.6667  0.0000  1
  O  O3  6  0.1490  0.3245  0.5000  1
  O  O4  6  0.1873  0.5699  0.0000  1
  O  O5  3  0.0000  0.7109  0.0000  1
  O  O6  1  0.0000  0.0000  0.0000  1
]