data_Nb2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsPb
_chemical_formula_sum   'Nb2 As1 Pb1'
_cell_volume   80.59
_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  Nb1  1  0.8  0.0  0.83  1.0
  Nb  Nb2  1  0.8  0.0  0.7  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.27  1.0

data_Nb2AsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsPb
_chemical_formula_sum   'Nb2 As1 Pb1'
_cell_volume   80.59
_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  0.8  0.0  0.7  1.0
  Nb  Nb1  1  0.8  0.0  0.83  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.27  1.0

Nb Nb As Pb
Nb Nb As Pb 0 1 o o o 0 2 + o + 2 3 o o o 