data_[Co36Ni18N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.3088]
_cell_length_b [8.3088]
_cell_length_c [10.4035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Co12Ni6N]
_chemical_formula_sum '[Co36 Ni18 N3]'
_cell_volume [621.9959]
_cell_formula_units_Z [3]
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
[
  Co  Co0  18  0.0365  0.8535  0.8073  1
  Co  Co1  18  0.0658  0.2101  0.4121  1
  Ni  Ni2  18  0.0379  0.5930  0.7074  1
  N  N3  3  0.0000  0.0000  0.0000  1
]