# generated using pymatgen
data_MgNb2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25915122
_cell_length_b   5.25915081
_cell_length_c   10.50097926
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2N3
_chemical_formula_sum   'Mg4 Nb8 N12'
_cell_volume   251.53112381
_cell_formula_units_Z   4
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  0.33333300  0.66666700  0.00000000  1.0
  Mg  Mg1  1  0.33333300  0.66666700  0.50000000  1.0
  Mg  Mg2  1  0.66666700  0.33333300  0.50000000  1.0
  Mg  Mg3  1  0.66666700  0.33333300  0.00000000  1.0
  Nb  Nb4  1  0.00000000  0.33520632  0.25000000  1.0
  Nb  Nb5  1  0.66479368  0.00000000  0.75000000  1.0
  Nb  Nb6  1  0.33520632  0.33520632  0.75000000  1.0
  Nb  Nb7  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb8  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb9  1  0.66479368  0.66479368  0.25000000  1.0
  Nb  Nb10  1  0.33520632  0.00000000  0.25000000  1.0
  Nb  Nb11  1  0.00000000  0.66479368  0.75000000  1.0
  N  N12  1  0.66922946  0.66922946  0.61986975  1.0
  N  N13  1  0.66922946  0.66922946  0.88013025  1.0
  N  N14  1  0.33077054  0.33077054  0.11986975  1.0
  N  N15  1  0.33077054  0.33077054  0.38013025  1.0
  N  N16  1  0.33077054  0.00000000  0.88013025  1.0
  N  N17  1  0.33077054  0.00000000  0.61986975  1.0
  N  N18  1  1.00000000  0.66922946  0.38013025  1.0
  N  N19  1  1.00000000  0.66922946  0.11986975  1.0
  N  N20  1  0.66922946  1.00000000  0.11986975  1.0
  N  N21  1  0.66922946  1.00000000  0.38013025  1.0
  N  N22  1  0.00000000  0.33077054  0.88013025  1.0
  N  N23  1  0.00000000  0.33077054  0.61986975  1.0