data_[Li2Mo2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.4943]
_cell_length_b [5.4197]
_cell_length_c [9.1433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiMoIO6]
_chemical_formula_sum '[Li2 Mo2 I2 O12]'
_cell_volume [260.3772]
_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
[
  Li  Li0  2  0.0101  0.8215  0.4166  1.0
  Mo  Mo1  2  0.2354  0.6061  0.9677  1.0
  I  I2  2  0.3702  0.3837  0.3406  1.0
  O  O3  2  0.0247  0.3232  0.0446  1.0
  O  O4  2  0.1135  0.4717  0.4184  1.0
  O  O5  2  0.1420  0.4845  0.7820  1.0
  O  O6  2  0.3538  0.6541  0.2139  1.0
  O  O7  2  0.3546  0.9902  0.5060  1.0
  O  O8  2  0.4841  0.8210  0.9592  1.0
]