data_[Sc4Cu1Ni1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [P-6m2]
_cell_length_a [3.1925]
_cell_length_b [3.1925]
_cell_length_c [13.1449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sc4CuNiN2]
_chemical_formula_sum '[Sc4 Cu1 Ni1 N2]'
_cell_volume [116.0242]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.3521  1
  Sc  Sc1  2  0.6667  0.3333  0.1604  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Ni  Ni3  1  0.6667  0.3333  0.5000  1
  N  N4  2  0.3333  0.6667  0.2561  1
]