data_Nb2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46
_cell_length_b   9.46
_cell_length_c   9.46
_cell_angle_alpha   18.65
_cell_angle_beta   18.65
_cell_angle_gamma   18.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuPb
_chemical_formula_sum   'Nb2 Cu1 Pb1'
_cell_volume   75.68
_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  0.0  0.0  0.2  1.0
  Nb  Nb2  1  0.0  0.0  0.68  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.94  1.0

data_Nb2CuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.07
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   100.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2CuPb
_chemical_formula_sum   'Nb4 Cu2 Pb2'
_cell_volume   151.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.32  1.0
  Nb  Nb1  2  0.0  0.0  0.8  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.06  1.0

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