data_NbAs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs5
_chemical_formula_sum   'Nb1 As5'
_cell_volume   122.23
_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  Nb5  1  0.0  0.0  0.0  1.0
  As  As0  1  0.56  0.48  0.0  1.0
  As  As1  1  0.0  0.96  0.0  1.0
  As  As2  1  0.72  0.22  0.69  1.0
  As  As3  1  0.28  0.22  0.69  1.0
  As  As4  1  0.56  0.0  0.69  1.0

data_NbAs5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs5
_chemical_formula_sum   'Nb1 As5'
_cell_volume   122.23
_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  -0.0  0.96  -0.0  1.0
  As  As2  1  0.28  0.22  0.69  1.0
  As  As3  1  0.56  0.0  0.69  1.0
  As  As4  1  0.56  0.48  -0.0  1.0
  As  As5  1  0.72  0.22  0.69  1.0

Nb As As As As As