# generated using pymatgen
data_PaNiAsN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90428505
_cell_length_b   3.90428505
_cell_length_c   7.97293869
_cell_angle_alpha   89.99991212
_cell_angle_beta   89.99991212
_cell_angle_gamma   89.99985682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaNiAsN
_chemical_formula_sum   'Pa2 Ni2 As2 N2'
_cell_volume   121.53502679
_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
  Pa  Pa0  1  0.25000100  0.25000100  0.14979958  1.0
  Pa  Pa1  1  0.75000200  0.75000200  0.85030575  1.0
  Ni  Ni2  1  0.75000100  0.25000200  0.49993929  1.0
  Ni  Ni3  1  0.25000200  0.75000100  0.49993929  1.0
  As  As4  1  0.75000000  0.75000000  0.33824557  1.0
  As  As5  1  0.25000300  0.25000300  0.66169558  1.0
  N  N6  1  0.75000200  0.25000200  0.00003697  1.0
  N  N7  1  0.25000200  0.75000200  0.00003697  1.0