data_[B4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5788]
_cell_length_b [2.5091]
_cell_length_c [6.4015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BC4]
_chemical_formula_sum '[B4 C16]'
_cell_volume [121.8099]
_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
[
  B  B0  2  0.2967  0.5000  0.1907  1
  B  B1  2  0.4921  0.5000  0.9919  1
  C  C2  2  0.1043  0.5000  0.1698  1
  C  C3  2  0.1059  0.5000  0.4078  1
  C  C4  2  0.1965  0.0000  0.7927  1
  C  C5  2  0.2047  0.0000  0.5530  1
  C  C6  2  0.2853  0.5000  0.9331  1
  C  C7  2  0.4022  0.0000  0.5991  1
  C  C8  2  0.4148  0.0000  0.3687  1
  C  C9  2  0.4976  0.5000  0.7432  1
]