data_[Cu4Ni12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6156]
_cell_length_b [2.5995]
_cell_length_c [6.2884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuNi3N]
_chemical_formula_sum '[Cu4 Ni12 N4]'
_cell_volume [237.3481]
_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
[
  Cu  Cu0  4  0.1202  0.0000  0.8430  1
  Ni  Ni1  4  0.0471  0.0000  0.1772  1
  Ni  Ni2  4  0.1738  0.0000  0.4962  1
  Ni  Ni3  4  0.2126  0.5000  0.1458  1
  N  N4  4  0.1196  0.5000  0.3177  1
]