data_Sr2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   131.43
_cell_angle_beta   131.43
_cell_angle_gamma   71.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VPb
_chemical_formula_sum   'Sr2 V1 Pb1'
_cell_volume   117.75
_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  0.87  1.0
  Sr  Sr2  1  0.0  0.46  0.43  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.46  0.0  0.43  1.0

data_Sr2VPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.98
_cell_angle_alpha   114.28
_cell_angle_beta   114.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VPb
_chemical_formula_sum   'Sr2 V1 Pb1'
_cell_volume   117.75
_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  Sr0  1  0.03  0.46  0.03  1.0
  Sr  Sr1  1  0.13  0.0  0.13  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.57  0.0  0.03  1.0

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