data_[Y9Zr9Ta3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5553]
_cell_length_b [6.5553]
_cell_length_c [16.6380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y3Zr3TaN8]
_chemical_formula_sum '[Y9 Zr9 Ta3 N24]'
_cell_volume [619.1892]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Zr  Zr1  9  0.0000  0.5000  0.0000  1.0
  Ta  Ta2  3  0.0000  0.0000  0.0000  1.0
  N  N3  18  0.0198  0.5099  0.7383  1.0
  N  N4  6  0.0000  0.0000  0.2553  1.0
]