data_[In4Mo4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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/m]
_cell_length_a [9.7734]
_cell_length_b [7.2358]
_cell_length_c [10.0092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InMoIO4]
_chemical_formula_sum '[In4 Mo4 I4 O16]'
_cell_volume [625.6465]
_cell_formula_units_Z [4]
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
[
  In  In0  4  0.0445  0.0000  0.2283  1.0
  Mo  Mo1  4  0.2043  0.5000  0.3391  1.0
  I  I2  4  0.2252  0.0000  0.0685  1.0
  O  O3  8  0.0854  0.3004  0.2561  1.0
  O  O4  4  0.1295  0.0000  0.6932  1.0
  O  O5  4  0.2315  0.0000  0.4611  1.0
]