# generated using pymatgen
data_MgTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39255622
_cell_length_b   5.39255622
_cell_length_c   5.39255622
_cell_angle_alpha   132.79046118
_cell_angle_beta   132.79046118
_cell_angle_gamma   68.98340825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaN2
_chemical_formula_sum   'Mg2 Ta2 N4'
_cell_volume   82.89417316
_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  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg1  1  0.25000000  0.75000000  0.50000000  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta3  1  0.75000000  0.25000000  0.50000000  1.0
  N  N4  1  0.74800900  0.74800900  0.00000000  1.0
  N  N5  1  0.25199100  0.25199100  0.00000000  1.0
  N  N6  1  0.00199100  0.50199100  0.50000000  1.0
  N  N7  1  0.49800900  0.99800900  0.50000000  1.0