# generated using pymatgen
data_Mg2Zr(NbN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30538666
_cell_length_b   5.30538675
_cell_length_c   10.59086443
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zr(NbN2)3
_chemical_formula_sum   'Mg4 Zr2 Nb6 N12'
_cell_volume   258.16426801
_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  0.33333300  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
  Zr  Zr4  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr5  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb6  1  1.00000000  0.34064361  0.25000000  1.0
  Nb  Nb7  1  0.65935639  0.00000000  0.75000000  1.0
  Nb  Nb8  1  0.34064361  0.34064361  0.75000000  1.0
  Nb  Nb9  1  0.65935639  0.65935639  0.25000000  1.0
  Nb  Nb10  1  0.34064361  0.00000000  0.25000000  1.0
  Nb  Nb11  1  0.00000000  0.65935639  0.75000000  1.0
  N  N12  1  0.66562048  0.66562048  0.62356508  1.0
  N  N13  1  0.66562048  0.66562048  0.87643492  1.0
  N  N14  1  0.33437952  0.33437952  0.12356508  1.0
  N  N15  1  0.33437952  0.33437952  0.37643492  1.0
  N  N16  1  0.33437952  0.00000000  0.87643492  1.0
  N  N17  1  0.33437952  0.00000000  0.62356508  1.0
  N  N18  1  1.00000000  0.66562048  0.37643492  1.0
  N  N19  1  1.00000000  0.66562048  0.12356508  1.0
  N  N20  1  0.66562048  0.00000000  0.12356508  1.0
  N  N21  1  0.66562048  0.00000000  0.37643492  1.0
  N  N22  1  0.00000000  0.33437952  0.87643492  1.0
  N  N23  1  0.00000000  0.33437952  0.62356508  1.0