data_[K2Mo2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2]
_cell_length_a [5.3768]
_cell_length_b [10.2464]
_cell_length_c [5.8723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KMoIO6]
_chemical_formula_sum '[K2 Mo2 I2 O12]'
_cell_volume [322.9729]
_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
[
  K  K0  2  0.0000  0.9937  0.5000  1.0
  Mo  Mo1  2  0.0000  0.6539  0.0000  1.0
  I  I2  2  0.0000  0.3166  0.0000  1.0
  O  O3  4  0.0382  0.5353  0.7804  1.0
  O  O4  4  0.1593  0.1899  0.8169  1.0
  O  O5  4  0.1804  0.7927  0.8191  1.0
]