data_[In4C4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3925]
_cell_length_b [5.9519]
_cell_length_c [6.5595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [InCO2]
_chemical_formula_sum '[In4 C4 O8]'
_cell_volume [288.3376]
_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  0.1381  0.0494  0.7523  1
  C  C1  4  0.4751  0.0971  0.0739  1
  O  O2  4  0.3153  0.1786  0.0485  1
  O  O3  4  0.4087  0.6614  0.2929  1
]