# generated using pymatgen
data_MgTiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28325200
_cell_length_b   6.12445300
_cell_length_c   7.12061700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiN2
_chemical_formula_sum   'Mg4 Ti4 N8'
_cell_volume   186.79212349
_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  0.58395200  0.11989900  1.0
  Mg  Mg1  1  0.25000000  0.41604800  0.88010100  1.0
  Mg  Mg2  1  0.25000000  0.91604800  0.61989900  1.0
  Mg  Mg3  1  0.75000000  0.08395200  0.38010100  1.0
  Ti  Ti4  1  0.75000000  0.57695600  0.62807900  1.0
  Ti  Ti5  1  0.25000000  0.42304400  0.37192100  1.0
  Ti  Ti6  1  0.25000000  0.92304400  0.12807900  1.0
  Ti  Ti7  1  0.75000000  0.07695600  0.87192100  1.0
  N  N8  1  0.25000000  0.57134400  0.61183200  1.0
  N  N9  1  0.75000000  0.42865600  0.38816800  1.0
  N  N10  1  0.75000000  0.92865600  0.11183200  1.0
  N  N11  1  0.25000000  0.07134400  0.88816800  1.0
  N  N12  1  0.25000000  0.59695000  0.14001400  1.0
  N  N13  1  0.75000000  0.40305000  0.85998600  1.0
  N  N14  1  0.75000000  0.90305000  0.64001400  1.0
  N  N15  1  0.25000000  0.09695000  0.35998600  1.0