data_NbAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   96.63
_cell_angle_beta   96.63
_cell_angle_gamma   140.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs4
_chemical_formula_sum   'Nb1 As4'
_cell_volume   91.49
_cell_formula_units_Z   1
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  Nb4  1  0.0  0.0  0.0  1.0
  As  As0  1  0.67  0.43  0.0  1.0
  As  As1  1  0.43  0.43  0.0  1.0
  As  As2  1  0.88  0.12  0.81  1.0
  As  As3  1  0.12  0.12  0.81  1.0

data_NbAs4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   83.37
_cell_angle_beta   70.14
_cell_angle_gamma   70.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs4
_chemical_formula_sum   'Nb1 As4'
_cell_volume   91.49
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  As  As1  1  0.12  0.0  0.19  1.0
  As  As2  1  0.12  0.77  0.19  1.0
  As  As3  1  0.43  0.23  0.0  1.0
  As  As4  1  0.43  1.0  0.0  1.0

Nb As As As As