data_[Na2Mg4Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  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 [13.8361]
_cell_length_b [3.0861]
_cell_length_c [6.3987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMg2(TaN2)3]
_chemical_formula_sum '[Na2 Mg4 Ta6 N12]'
_cell_volume [263.0145]
_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
  Mg  Mg1  4  0.1663  0.0000  0.3320  1
  Ta  Ta2  4  0.1652  0.0000  0.8347  1
  Ta  Ta3  2  0.0000  0.5000  0.5000  1
  N  N4  4  0.0045  0.0000  0.7269  1
  N  N5  4  0.1642  0.5000  0.5886  1
  N  N6  4  0.1751  0.5000  0.0803  1
]