data_[Ta8Ti16Co12N12]
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
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8517]
_cell_length_b [5.0918]
_cell_length_c [12.8561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Ti4(CoN)3]
_chemical_formula_sum '[Ta8 Ti16 Co12 N12]'
_cell_volume [563.5171]
_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  0.0401  0.4156  0.3714  1
  Ti  Ti1  8  0.1126  0.0869  0.5908  1
  Ti  Ti2  8  0.2217  0.0842  0.9091  1
  Co  Co3  8  0.2435  0.3410  0.7499  1
  Co  Co4  4  0.0000  0.0723  0.7500  1
  N  N5  8  0.0791  0.2629  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]