data_Nb2GaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   142.13
_cell_angle_beta   128.99
_cell_angle_gamma   65.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaPb
_chemical_formula_sum   'Nb2 Ga1 Pb1'
_cell_volume   83.17
_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  0.82  0.0  0.08  1.0
  Nb  Nb2  1  0.0  0.0  0.21  1.0
  Ga  Ga0  1  0.0  0.0  0.14  1.0
  Pb  Pb3  1  0.0  0.42  0.02  1.0

data_Nb2GaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.83
_cell_length_c   5.61
_cell_angle_alpha   115.5
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaPb
_chemical_formula_sum   'Nb2 Ga1 Pb1'
_cell_volume   83.17
_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  0.08  0.26  1.0
  Nb  Nb1  1  0.0  0.21  0.21  1.0
  Ga  Ga2  1  0.0  0.14  0.14  1.0
  Pb  Pb3  1  0.58  0.61  0.61  1.0

Nb Nb Ga Pb