data_NbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   148.4
_cell_angle_beta   148.4
_cell_angle_gamma   45.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs
_chemical_formula_sum   'Nb2 As2'
_cell_volume   71.16
_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  Nb2  1  0.0  0.0  0.77  1.0
  Nb  Nb3  1  0.0  0.74  0.93  1.0
  As  As0  1  0.74  0.0  0.97  1.0
  As  As1  1  0.0  0.0  0.91  1.0

data_NbAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.38
_cell_angle_alpha   105.8
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs
_chemical_formula_sum   'Nb2 As2'
_cell_volume   71.16
_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  0.23  0.0  0.23  1.0
  Nb  Nb1  1  0.8  0.74  0.8  1.0
  As  As2  1  0.03  0.0  0.77  1.0
  As  As3  1  0.09  0.0  0.09  1.0

Nb Nb As As