# generated using pymatgen
data_Mg2NbN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91785240
_cell_length_b   5.91785240
_cell_length_c   5.30461700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.00586817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbN3
_chemical_formula_sum   'Mg4 Nb2 N6'
_cell_volume   162.47138822
_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  1  0.99253800  0.33066000  0.98257600  1.0
  Mg  Mg1  1  0.33066000  0.99253800  0.98257600  1.0
  Mg  Mg2  1  0.00746200  0.66934000  0.48257600  1.0
  Mg  Mg3  1  0.66934000  0.00746200  0.48257600  1.0
  Nb  Nb4  1  0.66797700  0.66797700  0.98152200  1.0
  Nb  Nb5  1  0.33202300  0.33202300  0.48152200  1.0
  N  N6  1  0.01887900  0.33143000  0.38217300  1.0
  N  N7  1  0.33143000  0.01887900  0.38217300  1.0
  N  N8  1  0.98112100  0.66857000  0.88217300  1.0
  N  N9  1  0.66857000  0.98112100  0.88217300  1.0
  N  N10  1  0.65316500  0.65316500  0.36098000  1.0
  N  N11  1  0.34683500  0.34683500  0.86098000  1.0