# generated using pymatgen
data_Mg2TiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42928671
_cell_length_b   5.42928671
_cell_length_c   6.19175783
_cell_angle_alpha   70.43772438
_cell_angle_beta   70.43772438
_cell_angle_gamma   48.05187625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiN2
_chemical_formula_sum   'Mg4 Ti2 N4'
_cell_volume   126.29549228
_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  0.33290200  0.33290200  0.58659700  1.0
  Mg  Mg1  1  0.66709800  0.66709800  0.41340300  1.0
  Mg  Mg2  1  0.99270200  0.99270200  0.73608300  1.0
  Mg  Mg3  1  0.00729800  0.00729800  0.26391700  1.0
  Ti  Ti4  1  0.65512000  0.65512000  0.88754200  1.0
  Ti  Ti5  1  0.34488000  0.34488000  0.11245800  1.0
  N  N6  1  0.82297600  0.82297600  0.60716800  1.0
  N  N7  1  0.17702400  0.17702400  0.39283200  1.0
  N  N8  1  0.49934300  0.49934300  0.22927700  1.0
  N  N9  1  0.50065700  0.50065700  0.77072300  1.0