data_[B11C1]
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 [P-4m2]
_cell_length_a [2.3006]
_cell_length_b [2.3006]
_cell_length_c [15.5192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [B11C]
_chemical_formula_sum '[B11 C1]'
_cell_volume [82.1407]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.1573  1
  B  B1  2  0.0000  0.5000  0.0710  1
  B  B2  2  0.0000  0.5000  0.4144  1
  B  B3  2  0.0000  0.5000  0.7574  1
  B  B4  2  0.5000  0.5000  0.3288  1
  B  B5  1  0.0000  0.0000  0.5000  1
  C  C6  1  0.5000  0.5000  0.0000  1
]