data_[Ni10C14]
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 [I4mm]
_cell_length_a [6.5695]
_cell_length_b [6.5695]
_cell_length_c [4.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ni5C7]
_chemical_formula_sum '[Ni10 C14]'
_cell_volume [194.1063]
_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
[
  Ni  Ni0  8  0.1973  0.1973  0.5246  1
  Ni  Ni1  2  0.0000  0.0000  0.1159  1
  C  C2  8  0.0000  0.3365  0.2306  1
  C  C3  4  0.0000  0.5000  0.4817  1
  C  C4  2  0.0000  0.0000  0.6997  1
]