data_[Lu16Hf8Ni12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0991]
_cell_length_b [5.6092]
_cell_length_c [13.6815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Hf2(NiN)3]
_chemical_formula_sum '[Lu16 Hf8 Ni12 N12]'
_cell_volume [750.0876]
_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
[
  Lu  Lu0  8  0.1226  0.0760  0.6051  1
  Lu  Lu1  8  0.2164  0.0804  0.8937  1
  Hf  Hf2  8  0.0514  0.4145  0.4049  1
  Ni  Ni3  8  0.1240  0.4215  0.7500  1
  Ni  Ni4  4  0.0000  0.0065  0.7500  1
  N  N5  8  0.0786  0.2652  0.0022  1
  N  N6  4  0.2500  0.2500  0.5000  1
]