data_Sr2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.17
_cell_length_b   11.17
_cell_length_c   11.17
_cell_angle_alpha   18.71
_cell_angle_beta   18.71
_cell_angle_gamma   18.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VPb
_chemical_formula_sum   'Sr2 V1 Pb1'
_cell_volume   125.26
_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
  Sr  Sr1  1  0.0  0.0  0.41  1.0
  Sr  Sr2  1  0.0  0.0  0.5  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.45  1.0

data_Sr2VPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.29
_cell_length_b   3.63
_cell_length_c   11.17
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2VPb
_chemical_formula_sum   'Sr4 V2 Pb2'
_cell_volume   250.53
_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
  Sr  Sr0  2  0.0  0.0  0.59  1.0
  Sr  Sr1  2  0.0  0.0  0.5  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.55  1.0

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