data_[Ta8Ni12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9653]
_cell_length_b [5.1992]
_cell_length_c [13.0552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Ni3Mo4N3]
_chemical_formula_sum '[Ta8 Ni12 Mo16 N12]'
_cell_volume [591.8696]
_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  0.0412  0.4171  0.3716  1
  Ni  Ni1  8  0.2401  0.3448  0.7463  1
  Ni  Ni2  4  0.0000  0.0719  0.7500  1
  Mo  Mo3  8  0.1124  0.9306  0.0839  1
  Mo  Mo4  8  0.2162  0.0909  0.9163  1
  N  N5  8  0.0682  0.2929  0.9997  1
  N  N6  4  0.2500  0.2500  0.5000  1
]