data_[B4C4]
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 [P2_1/m]
_cell_length_a [3.7864]
_cell_length_b [2.5993]
_cell_length_c [5.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BC]
_chemical_formula_sum '[B4 C4]'
_cell_volume [54.3763]
_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  0.1279  0.2500  0.7248  1
  B  B1  2  0.3760  0.2500  0.0533  1
  C  C2  2  0.1270  0.2500  0.2654  1
  C  C3  2  0.3823  0.2500  0.4975  1
]