data_VGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   142.85
_cell_angle_beta   125.29
_cell_angle_gamma   67.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGe2Pb
_chemical_formula_sum   'V1 Ge2 Pb1'
_cell_volume   78.22
_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  V3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.5  0.5  1.0
  Ge  Ge1  1  0.73  0.0  0.02  1.0
  Pb  Pb2  1  0.0  0.0  0.51  1.0

data_VGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.0
_cell_length_c   5.44
_cell_angle_alpha   117.35
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGe2Pb
_chemical_formula_sum   'V1 Ge2 Pb1'
_cell_volume   78.22
_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  V0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.5  0.0  0.0  1.0
  Ge  Ge2  1  0.72  0.98  0.72  1.0
  Pb  Pb3  1  0.49  0.49  0.49  1.0

V Ge Ge Pb
V Ge Ge Pb 0 1 o o o 0 1 o - - 0 2 - o o 0 3 o o o 0 3 o o - 1 2 - o o 1 3 o o o 1 3 o + o 2 3 + o o 