data_[Mg2Nb8N8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6670]
_cell_length_b [4.2001]
_cell_length_c [6.8560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgNb4(NO)4]
_chemical_formula_sum '[Mg2 Nb8 N8 O8]'
_cell_volume [346.8555]
_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  2  0.4489  0.0000  0.6346  1
  Nb  Nb1  2  0.1216  0.0000  0.7230  1
  Nb  Nb2  2  0.1969  0.0000  0.3194  1
  Nb  Nb3  2  0.2867  0.5000  0.6563  1
  Nb  Nb4  2  0.3892  0.5000  0.2663  1
  N  N5  2  0.0569  0.0000  0.3581  1
  N  N6  2  0.2354  0.5000  0.3347  1
  N  N7  2  0.2825  0.0000  0.6553  1
  N  N8  2  0.4488  0.5000  0.6523  1
  O  O9  2  0.1184  0.5000  0.7009  1
  O  O10  2  0.1609  0.0000  0.0071  1
  O  O11  2  0.3480  0.5000  0.9864  1
  O  O12  2  0.3839  0.0000  0.3178  1
]