data_NbSi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.58
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   100.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Pb
_chemical_formula_sum   'Nb1 Si2 Pb1'
_cell_volume   79.9
_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  0.0  0.0  1.0
  Si  Si2  1  0.33  0.79  0.79  1.0
  Si  Si3  1  0.57  0.79  0.23  1.0
  Pb  Pb1  1  0.36  0.0  0.51  1.0

data_NbSi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.58
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   100.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Pb
_chemical_formula_sum   'Nb1 Si2 Pb1'
_cell_volume   79.9
_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  0.0  0.0  1.0
  Si  Si1  1  0.33  0.79  0.79  1.0
  Si  Si2  1  0.57  0.79  0.23  1.0
  Pb  Pb3  1  0.36  0.0  0.51  1.0

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