data_[In6C12]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5897]
_cell_length_b [3.5897]
_cell_length_c [26.3945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [InC2]
_chemical_formula_sum '[In6 C12]'
_cell_volume [294.5539]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.1820  1
  In  In1  3  0.0000  0.0000  0.7352  1
  C  C2  3  0.0000  0.0000  0.1000  1
  C  C3  3  0.0000  0.0000  0.5537  1
  C  C4  3  0.0000  0.0000  0.6046  1
  C  C5  3  0.0000  0.0000  0.6527  1
]