data_[In2H2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6605]
_cell_length_b [2.6517]
_cell_length_c [9.3127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InHC]
_chemical_formula_sum '[In2 H2 C2]'
_cell_volume [90.1241]
_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  1  0.0854  0.0000  0.1658  1
  In  In1  1  0.4362  0.5000  0.8817  1
  H  H2  1  0.7466  0.5000  0.5278  1
  H  H3  1  0.9178  0.5000  0.7952  1
  C  C4  1  0.5140  0.0000  0.3593  1
  C  C5  1  0.5949  0.5000  0.4201  1
]