data_[Na2Mo2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.4111]
_cell_length_b [5.4114]
_cell_length_c [8.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [NaMoIO6]
_chemical_formula_sum '[Na2 Mo2 I2 O12]'
_cell_volume [254.8893]
_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  2  0.4961  0.7366  0.6053  1
  Mo  Mo1  2  0.2575  0.8548  0.0262  1
  I  I2  2  0.0631  0.1368  0.6719  1
  O  O3  2  0.0181  0.1724  0.9563  1
  O  O4  2  0.1611  0.0381  0.5007  1
  O  O5  2  0.1760  0.8446  0.7798  1
  O  O6  2  0.2718  0.5692  0.3834  1
  O  O7  2  0.3536  0.9771  0.2099  1
  O  O8  2  0.4819  0.6143  0.0304  1
]