data_V2SiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   8.8
_cell_angle_alpha   20.22
_cell_angle_beta   20.22
_cell_angle_gamma   20.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SiPb
_chemical_formula_sum   'V2 Si1 Pb1'
_cell_volume   71.37
_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
  V  V2  1  0.0  0.0  0.05  1.0
  V  V3  1  0.0  0.0  0.02  1.0
  Si  Si1  1  0.0  0.0  0.87  1.0
  Pb  Pb0  1  0.0  0.0  0.86  1.0

data_V2SiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   101.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2SiPb
_chemical_formula_sum   'V4 Si2 Pb2'
_cell_volume   142.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  V  V0  2  0.0  0.0  0.95  1.0
  V  V1  2  0.0  0.0  0.98  1.0
  Si  Si2  2  0.0  0.0  0.13  1.0
  Pb  Pb3  2  0.0  0.0  0.14  1.0

V V Si Pb
V V Si Pb 0 1 o o o 2 3 o o o 