data_[Ta8Ti16Ni12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  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 [8.8769]
_cell_length_b [5.0986]
_cell_length_c [13.0005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Ti4(NiN)3]
_chemical_formula_sum '[Ta8 Ti16 Ni12 N12]'
_cell_volume [572.7882]
_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  0.0424  0.4170  0.3758  1
  Ti  Ti1  8  0.1114  0.0871  0.5879  1
  Ti  Ti2  8  0.2232  0.0831  0.9119  1
  Ni  Ni3  8  0.2451  0.3403  0.7503  1
  Ni  Ni4  4  0.0000  0.0773  0.7500  1
  N  N5  8  0.0796  0.2615  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]