data_[Ta16Nb8Ni12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  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 [9.1127]
_cell_length_b [5.2087]
_cell_length_c [13.4949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Nb2(NiN)3]
_chemical_formula_sum '[Ta16 Nb8 Ni12 N12]'
_cell_volume [624.0806]
_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
[
  Ta  Ta0  8  0.1125  0.0919  0.5906  1
  Ta  Ta1  8  0.2222  0.9174  0.4091  1
  Nb  Nb2  8  0.0363  0.4179  0.3709  1
  Ni  Ni3  8  0.2406  0.1724  0.2485  1
  Ni  Ni4  4  0.0000  0.1054  0.7500  1
  N  N5  8  0.0779  0.2677  0.0001  1
  N  N6  4  0.2500  0.2500  0.5000  1
]