data_[C58]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [9.5538]
_cell_length_b [9.5538]
_cell_length_c [9.5538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [C]
_chemical_formula_sum '[C58]'
_cell_volume [872.0236]
_cell_formula_units_Z [58]
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
[
  C  C0  24  0.0468  0.0468  0.6888  1
  C  C1  24  0.1362  0.1362  0.7567  1
  C  C2  8  0.0891  0.9109  0.9109  1
  C  C3  2  0.0000  0.0000  0.0000  1
]