data_[Mg6Zr4Nb2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  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 [13.8338]
_cell_length_b [3.1812]
_cell_length_c [6.3554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Zr2NbN6]
_chemical_formula_sum '[Mg6 Zr4 Nb2 N12]'
_cell_volume [272.5924]
_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  0.1655  0.0000  0.8316  1.0
  Mg  Mg1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  4  0.1657  0.0000  0.3316  1.0
  Nb  Nb3  2  0.0000  0.5000  0.0000  1.0
  N  N4  4  0.0000  0.0000  0.7601  1.0
  N  N5  4  0.1614  0.5000  0.0806  1.0
  N  N6  4  0.1674  0.5000  0.5792  1.0
]