data_[Na2Zr4Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [13.9084]
_cell_length_b [3.1857]
_cell_length_c [6.3899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaZr2(TaN2)3]
_chemical_formula_sum '[Na2 Zr4 Ta6 N12]'
_cell_volume [274.2156]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr1  4  0.1622  0.0000  0.3331  1.0
  Ta  Ta2  4  0.1611  0.0000  0.8232  1.0
  Ta  Ta3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0035  0.0000  0.7358  1.0
  N  N5  4  0.1647  0.5000  0.5924  1.0
  N  N6  4  0.1733  0.5000  0.0710  1.0
]