# generated using pymatgen
data_NdTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36070891
_cell_length_b   5.80955340
_cell_length_c   11.05298279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTaN2
_chemical_formula_sum   'Nd4 Ta4 N8'
_cell_volume   215.80084450
_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
  Nd  Nd0  1  0.25000000  0.58633589  0.86417043  1.0
  Nd  Nd1  1  0.75000000  0.41366411  0.13582957  1.0
  Nd  Nd2  1  0.75000000  0.91366411  0.36417043  1.0
  Nd  Nd3  1  0.25000000  0.08633589  0.63582957  1.0
  Ta  Ta4  1  0.25000000  0.92039981  0.11285361  1.0
  Ta  Ta5  1  0.75000000  0.07960019  0.88714639  1.0
  Ta  Ta6  1  0.75000000  0.57960019  0.61285361  1.0
  Ta  Ta7  1  0.25000000  0.42039981  0.38714639  1.0
  N  N8  1  0.25000000  0.66489936  0.24553247  1.0
  N  N9  1  0.75000000  0.33510064  0.75446753  1.0
  N  N10  1  0.75000000  0.83510064  0.74553247  1.0
  N  N11  1  0.25000000  0.16489936  0.25446753  1.0
  N  N12  1  0.25000000  0.72041268  0.51289816  1.0
  N  N13  1  0.75000000  0.27958732  0.48710184  1.0
  N  N14  1  0.75000000  0.77958732  0.01289816  1.0
  N  N15  1  0.25000000  0.22041268  0.98710184  1.0