data_[Ta8Cr16Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1247]
_cell_length_b [5.2679]
_cell_length_c [13.0334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Cr4(AuN)3]
_chemical_formula_sum '[Ta8 Cr16 Au12 N12]'
_cell_volume [609.9545]
_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  0.0568  0.4130  0.9015  1
  Cr  Cr1  8  0.1067  0.0741  0.0700  1
  Cr  Cr2  8  0.2225  0.0894  0.4303  1
  Au  Au3  8  0.1948  0.3885  0.2462  1
  Au  Au4  4  0.0000  0.0226  0.7500  1
  N  N5  8  0.0805  0.2571  0.5003  1
  N  N6  4  0.2500  0.2500  0.0000  1
]