data_Ba2SrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   145.08
_cell_angle_beta   133.53
_cell_angle_gamma   59.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrPb
_chemical_formula_sum   'Ba2 Sr1 Pb1'
_cell_volume   188.45
_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
  Ba  Ba0  1  0.31  0.0  0.95  1.0
  Ba  Ba1  1  0.0  0.04  0.75  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.7  1.0

data_Ba2SrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   6.08
_cell_length_c   7.71
_cell_angle_alpha   113.23
_cell_angle_beta   107.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrPb
_chemical_formula_sum   'Ba2 Sr1 Pb1'
_cell_volume   188.45
_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
  Ba  Ba0  1  0.0  0.95  0.64  1.0
  Ba  Ba1  1  0.96  0.7  0.7  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.7  0.7  1.0

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