data_[Na2Hf4Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  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 [13.8259]
_cell_length_b [3.1686]
_cell_length_c [6.3271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaHf2(TaN2)3]
_chemical_formula_sum '[Na2 Hf4 Ta6 N12]'
_cell_volume [268.2567]
_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
  Hf  Hf1  4  0.1591  0.0000  0.3281  1
  Ta  Ta2  4  0.1575  0.0000  0.8171  1
  Ta  Ta3  2  0.0000  0.5000  0.5000  1
  N  N4  4  0.0001  0.0000  0.7407  1
  N  N5  4  0.1690  0.5000  0.5823  1
  N  N6  4  0.1738  0.5000  0.0786  1
]