data_Nb2SiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.74
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SiPb
_chemical_formula_sum   'Nb2 Si1 Pb1'
_cell_volume   79.39
_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  0.01  0.37  0.39  1.0
  Nb  Nb1  1  0.04  0.37  0.21  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.02  0.0  0.8  1.0

data_Nb2SiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.74
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SiPb
_chemical_formula_sum   'Nb2 Si1 Pb1'
_cell_volume   79.39
_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  0.01  0.37  0.39  1.0
  Nb  Nb1  1  0.04  0.37  0.21  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.02  0.0  0.8  1.0

Nb Nb Si Pb
Nb Nb Si Pb 0 1 o o o 2 3 o o - 