# generated using pymatgen
data_NbNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34494679
_cell_length_b   3.73809152
_cell_length_c   7.34045584
_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   174.10087135
_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  0.02028600  0.83645000  1
  Nb  Nb1  1  0.25000000  0.52028600  0.66355000  1
  Nb  Nb2  1  0.75000000  0.97971400  0.16355000  1
  Nb  Nb3  1  0.75000000  0.47971400  0.33645000  1
  Ni  Ni4  1  0.25000000  0.15469100  0.42994000  1
  Ni  Ni5  1  0.25000000  0.65469100  0.07006000  1
  Ni  Ni6  1  0.75000000  0.84530900  0.57006000  1
  Ni  Ni7  1  0.75000000  0.34530900  0.92994000  1
  As  As8  1  0.25000000  0.78431100  0.37712200  1
  As  As9  1  0.25000000  0.28431100  0.12287800  1
  As  As10  1  0.75000000  0.21568900  0.62287800  1
  As  As11  1  0.75000000  0.71568900  0.87712200  1
