data_[Ba4Bi4C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6887]
_cell_length_b [5.5065]
_cell_length_c [8.2094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaBiC3]
_chemical_formula_sum '[Ba4 Bi4 C12]'
_cell_volume [422.7559]
_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
[
  Ba  Ba0  4  0.2418  0.5000  0.7048  1
  Bi  Bi1  2  0.0000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.5000  0.0000  1
  C  C3  8  0.0480  0.1161  0.8534  1
  C  C4  4  0.2466  0.5000  0.3485  1
]