data_[Na16In2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.7031]
_cell_length_b [7.0709]
_cell_length_c [9.9943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na8InO6]
_chemical_formula_sum '[Na16 In2 O12]'
_cell_volume [473.7003]
_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  8  0.2081  0.3046  0.8233  1
  Na  Na1  4  0.2239  0.5000  0.1596  1
  Na  Na2  2  0.0000  0.0000  0.0417  1
  Na  Na3  2  0.0000  0.0000  0.4897  1
  In  In4  2  0.0000  0.5000  0.5253  1
  O  O5  4  0.0000  0.2466  0.6361  1
  O  O6  4  0.2370  0.5000  0.3892  1
  O  O7  2  0.0000  0.0000  0.2719  1
  O  O8  2  0.0000  0.5000  0.9723  1
]