data_[Na4Bi2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6989]
_cell_length_b [5.8409]
_cell_length_c [9.9393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2BiIO6]
_chemical_formula_sum '[Na4 Bi2 I2 O12]'
_cell_volume [271.3015]
_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
[
  Na  Na0  4  0.2425  0.5441  0.7533  1
  Bi  Bi1  2  0.5000  0.0000  0.0000  1
  I  I2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1037  0.7290  0.4367  1
  O  O4  4  0.2247  0.1769  0.4507  1
  O  O5  4  0.3271  0.5447  0.2212  1
]