data_[Mg4Ta2Nb6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3265]
_cell_length_b [9.2627]
_cell_length_c [5.4593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Ta(NbN2)3]
_chemical_formula_sum '[Mg4 Ta2 Nb6 N12]'
_cell_volume [255.0576]
_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
[
  Mg  Mg0  4  0.0000  0.3350  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  4  0.0000  0.1824  0.5000  1.0
  Nb  Nb3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2452  0.8351  0.2323  1.0
  N  N5  4  0.2463  0.0000  0.7462  1.0
]