data_[Ba6Ni2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0488]
_cell_length_b [4.1487]
_cell_length_c [5.0002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3NiC4]
_chemical_formula_sum '[Ba6 Ni2 C8]'
_cell_volume [348.6089]
_cell_formula_units_Z [2]
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  0.1731  0.5000  0.2139  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  C  C3  4  0.0904  0.0000  0.8491  1.0
  C  C4  4  0.1522  0.0000  0.7273  1.0
]