data_[Y2Zr2Ta2N6]
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 [P2_1/m]
_cell_length_a [5.6516]
_cell_length_b [3.2619]
_cell_length_c [8.4282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YZrTaN3]
_chemical_formula_sum '[Y2 Zr2 Ta2 N6]'
_cell_volume [151.5041]
_cell_formula_units_Z [2]
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  2  0.3500  0.2500  0.3099  1.0
  Zr  Zr1  2  0.2336  0.7500  0.9523  1.0
  Ta  Ta2  2  0.1271  0.2500  0.6356  1.0
  N  N3  2  0.0418  0.7500  0.1601  1.0
  N  N4  2  0.2547  0.7500  0.5094  1.0
  N  N5  2  0.4410  0.2500  0.8346  1.0
]