data_Nb2ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   140.88
_cell_angle_beta   130.32
_cell_angle_gamma   64.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnPb
_chemical_formula_sum   'Nb2 Zn1 Pb1'
_cell_volume   75.23
_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  0.27  0.33  1.0
  Nb  Nb1  1  0.81  0.0  0.23  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.56  1.0

data_Nb2ZnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.55
_cell_length_c   5.41
_cell_angle_alpha   114.84
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnPb
_chemical_formula_sum   'Nb2 Zn1 Pb1'
_cell_volume   75.23
_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  0.58  0.77  0.58  1.0
  Nb  Nb1  1  0.67  0.94  0.94  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.44  0.44  0.44  1.0

Nb Nb Zn Pb
Nb Nb Zn Pb 0 2 o o o 0 1 - o o 1 3 + o o 