# generated using pymatgen
data_PaTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28838292
_cell_length_b   5.71592325
_cell_length_c   10.98182573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaTaN2
_chemical_formula_sum   'Pa4 Ta4 N8'
_cell_volume   206.41598199
_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
  Pa  Pa0  1  0.25000000  0.57608619  0.85426694  1.0
  Pa  Pa1  1  0.75000000  0.42391381  0.14573306  1.0
  Pa  Pa2  1  0.75000000  0.92391381  0.35426694  1.0
  Pa  Pa3  1  0.25000000  0.07608619  0.64573306  1.0
  Ta  Ta4  1  0.25000000  0.92820004  0.09769391  1.0
  Ta  Ta5  1  0.75000000  0.07179996  0.90230609  1.0
  Ta  Ta6  1  0.75000000  0.57179996  0.59769391  1.0
  Ta  Ta7  1  0.25000000  0.42820004  0.40230609  1.0
  N  N8  1  0.25000000  0.66365337  0.24517806  1.0
  N  N9  1  0.75000000  0.33634663  0.75482194  1.0
  N  N10  1  0.75000000  0.83634663  0.74517806  1.0
  N  N11  1  0.25000000  0.16365337  0.25482194  1.0
  N  N12  1  0.25000000  0.76386085  0.50424594  1.0
  N  N13  1  0.75000000  0.23613915  0.49575406  1.0
  N  N14  1  0.75000000  0.73613915  0.00424594  1.0
  N  N15  1  0.25000000  0.26386085  0.99575406  1.0