data_[In4C2N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4022]
_cell_length_b [5.0828]
_cell_length_c [6.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2CN2]
_chemical_formula_sum '[In4 C2 N4]'
_cell_volume [173.0809]
_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
[
  In  In0  4  0.1603  0.5000  0.3125  1
  C  C1  2  0.0000  0.0000  0.0000  1
  N  N2  4  0.1975  0.0000  0.1510  1
]