# generated using pymatgen
data_NbNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71031809
_cell_length_b   6.33157439
_cell_length_c   7.27103915
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiAs
_chemical_formula_sum   'Nb4 Ni4 As4'
_cell_volume   170.81237870
_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
  Nb  Nb0  1  0.25000000  0.01705345  0.83653804  1.0
  Nb  Nb1  1  0.25000000  0.51705345  0.66346196  1.0
  Nb  Nb2  1  0.75000000  0.98294655  0.16346196  1.0
  Nb  Nb3  1  0.75000000  0.48294655  0.33653804  1.0
  Ni  Ni4  1  0.25000000  0.16024194  0.42572770  1.0
  Ni  Ni5  1  0.25000000  0.66024194  0.07427230  1.0
  Ni  Ni6  1  0.75000000  0.83975806  0.57427230  1.0
  Ni  Ni7  1  0.75000000  0.33975806  0.92572770  1.0
  As  As8  1  0.25000000  0.79004620  0.38112095  1.0
  As  As9  1  0.25000000  0.29004620  0.11887905  1.0
  As  As10  1  0.75000000  0.20995380  0.61887905  1.0
  As  As11  1  0.75000000  0.70995380  0.88112095  1.0