data_[Ti2In2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7439]
_cell_length_b [4.7439]
_cell_length_c [9.5308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [TiInMoO6]
_chemical_formula_sum '[Ti2 In2 Mo2 O12]'
_cell_volume [214.4902]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.3276  1
  In  In1  2  0.0000  0.0000  0.6666  1
  Mo  Mo2  2  0.0000  0.0000  0.9999  1
  O  O3  4  0.1830  0.8170  0.1702  1
  O  O4  4  0.2086  0.7914  0.8446  1
  O  O5  4  0.2104  0.7896  0.4882  1
]