data_[In4Si4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.8048]
_cell_length_b [8.3539]
_cell_length_c [6.8551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InSiO3]
_chemical_formula_sum '[In4 Si4 O12]'
_cell_volume [275.0454]
_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  0.0137  0.5000  0.8008  1.0
  Si  Si1  4  0.0000  0.1645  0.5000  1.0
  O  O2  8  0.1817  0.3129  0.3554  1.0
  O  O3  4  0.1106  0.0000  0.3550  1.0
]