# generated using pymatgen
data_NbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46654444
_cell_length_b   3.46654523
_cell_length_c   6.39357543
_cell_angle_alpha   105.72946674
_cell_angle_beta   105.72947862
_cell_angle_gamma   90.00000068
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs
_chemical_formula_sum   'Nb2 As2'
_cell_volume   70.96032584
_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
  Nb  Nb0  1  0.74972357  0.24972357  0.49944715  1.0
  Nb  Nb1  1  0.99972357  0.99972357  0.99944715  1.0
  As  As2  1  0.16727643  0.66727643  0.33455285  1.0
  As  As3  1  0.41727643  0.41727643  0.83455285  1.0