data_[B4Pb4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2983]
_cell_length_b [11.1847]
_cell_length_c [5.9139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BPbC]
_chemical_formula_sum '[B4 Pb4 C4]'
_cell_volume [218.1663]
_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  4  0.2478  0.0000  0.3679  1
  Pb  Pb1  4  0.0000  0.3317  0.5619  1
  C  C2  2  0.0000  0.5000  0.0949  1
  C  C3  2  0.0000  0.5000  0.3142  1
]