data_BaSrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   5.38
_cell_angle_alpha   111.85
_cell_angle_beta   111.85
_cell_angle_gamma   36.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrPb2
_chemical_formula_sum   'Ba1 Sr1 Pb2'
_cell_volume   154.09
_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  0.99  0.0  0.8  1.0
  Sr  Sr3  1  0.8  0.0  0.47  1.0
  Pb  Pb1  1  0.35  0.0  0.11  1.0
  Pb  Pb2  1  0.18  0.0  0.04  1.0

data_BaSrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   5.38
_cell_length_c   7.2
_cell_angle_alpha   111.85
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrPb2
_chemical_formula_sum   'Ba1 Sr1 Pb2'
_cell_volume   154.09
_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  0.8  0.99  1.0
  Sr  Sr1  1  0.0  0.47  0.8  1.0
  Pb  Pb2  1  0.0  0.04  0.18  1.0
  Pb  Pb3  1  0.0  0.11  0.35  1.0

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