data_[Ni8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.0848]
_cell_length_b [5.5882]
_cell_length_c [6.4055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [NiC]
_chemical_formula_sum '[Ni8 C8]'
_cell_volume [182.0117]
_cell_formula_units_Z [8]
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
[
  Ni  Ni0  4  0.1291  0.4195  0.2577  1
  Ni  Ni1  4  0.1577  0.9012  0.5454  1
  C  C2  4  0.1869  0.0896  0.3069  1
  C  C3  4  0.2137  0.4044  0.9620  1
]