data_[Cu3Ni2N3]
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 [Pm]
_cell_length_a [2.6621]
_cell_length_b [22.1297]
_cell_length_c [3.5975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu3Ni2N3]
_chemical_formula_sum '[Cu3 Ni2 N3]'
_cell_volume [198.7658]
_cell_formula_units_Z [1]
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  2  0.9114  0.3389  0.0293  1
  Cu  Cu1  1  0.4087  0.5000  0.1342  1
  Ni  Ni2  2  0.0842  0.4160  0.5355  1
  N  N3  2  0.5676  0.3545  0.4798  1
  N  N4  1  0.1131  0.5000  0.5650  1
]