data_[Y8Ta16Si12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5638]
_cell_length_b [5.5310]
_cell_length_c [13.7179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Ta4(SiN)3]
_chemical_formula_sum '[Y8 Ta16 Si12 N12]'
_cell_volume [702.6265]
_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
[
  Y  Y0  8  0.0387  0.4188  0.3813  1
  Ta  Ta1  8  0.1139  0.0862  0.5841  1
  Ta  Ta2  8  0.2215  0.0811  0.9166  1
  Si  Si3  8  0.2435  0.3420  0.7500  1
  Si  Si4  4  0.0000  0.0752  0.7500  1
  N  N5  8  0.0812  0.2550  0.9997  1
  N  N6  4  0.2500  0.2500  0.5000  1
]