data_NbCo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   38.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Pb
_chemical_formula_sum   'Nb1 Co2 Pb1'
_cell_volume   63.41
_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  Nb2  1  0.0  0.0  0.85  1.0
  Co  Co0  1  0.0  0.0  0.62  1.0
  Co  Co1  1  0.05  0.0  0.01  1.0
  Pb  Pb3  1  0.05  0.0  0.15  1.0

data_NbCo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.09
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Pb
_chemical_formula_sum   'Nb1 Co2 Pb1'
_cell_volume   63.41
_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  0.15  0.0  0.15  1.0
  Co  Co1  1  0.38  0.0  0.38  1.0
  Co  Co2  1  0.99  0.05  0.99  1.0
  Pb  Pb3  1  0.85  0.05  0.85  1.0

Nb Co Co Pb