# generated using pymatgen
data_MgZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50527700
_cell_length_b   6.47005400
_cell_length_c   7.45881200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrN2
_chemical_formula_sum   'Mg4 Zr4 N8'
_cell_volume   217.41978617
_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  0.75000000  0.57862800  0.11917200  1.0
  Mg  Mg1  1  0.25000000  0.42137200  0.88082800  1.0
  Mg  Mg2  1  0.25000000  0.92137200  0.61917200  1.0
  Mg  Mg3  1  0.75000000  0.07862800  0.38082800  1.0
  Zr  Zr4  1  0.75000000  0.58887700  0.63056000  1.0
  Zr  Zr5  1  0.25000000  0.41112300  0.36944000  1.0
  Zr  Zr6  1  0.25000000  0.91112300  0.13056000  1.0
  Zr  Zr7  1  0.75000000  0.08887700  0.86944000  1.0
  N  N8  1  0.25000000  0.58091500  0.61620000  1.0
  N  N9  1  0.75000000  0.41908500  0.38380000  1.0
  N  N10  1  0.75000000  0.91908500  0.11620000  1.0
  N  N11  1  0.25000000  0.08091500  0.88380000  1.0
  N  N12  1  0.25000000  0.58248600  0.12934700  1.0
  N  N13  1  0.75000000  0.41751400  0.87065300  1.0
  N  N14  1  0.75000000  0.91751400  0.62934700  1.0
  N  N15  1  0.25000000  0.08248600  0.37065300  1.0