data_[Lu16Ta8Ni12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ta  1.5000  1.4500  0.8200
  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 [9.8443]
_cell_length_b [5.7010]
_cell_length_c [13.3592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Ta2(NiN)3]
_chemical_formula_sum '[Lu16 Ta8 Ni12 N12]'
_cell_volume [725.5306]
_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  0.1203  0.0797  0.1122  1
  Lu  Lu1  8  0.2096  0.0894  0.3879  1
  Ta  Ta2  8  0.0584  0.4124  0.9168  1
  Ni  Ni3  8  0.1261  0.4650  0.2493  1
  Ni  Ni4  4  0.0000  0.1629  0.7500  1
  N  N5  8  0.0803  0.2589  0.4996  1
  N  N6  4  0.2500  0.2500  0.0000  1
]