data_Nb2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   136.81
_cell_angle_beta   133.69
_cell_angle_gamma   65.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgPb
_chemical_formula_sum   'Nb2 Ag1 Pb1'
_cell_volume   77.53
_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  0.13  0.29  1.0
  Nb  Nb2  1  0.99  0.0  0.28  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.56  1.0

data_Nb2AgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.26
_cell_length_c   5.42
_cell_angle_alpha   113.16
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgPb
_chemical_formula_sum   'Nb2 Ag1 Pb1'
_cell_volume   77.53
_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  0.71  0.84  0.84  1.0
  Nb  Nb1  1  0.72  0.72  0.72  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.44  0.44  0.44  1.0

Nb Nb Ag Pb