data_Ba2SrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   132.44
_cell_angle_beta   132.44
_cell_angle_gamma   69.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrPd
_chemical_formula_sum   'Ba2 Sr1 Pd1'
_cell_volume   183.54
_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  0.82  0.0  0.88  1.0
  Ba  Ba1  1  0.0  0.0  0.75  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.82  0.88  1.0

data_Ba2SrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   7.0
_cell_angle_alpha   113.78
_cell_angle_beta   113.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrPd
_chemical_formula_sum   'Ba2 Sr1 Pd1'
_cell_volume   183.54
_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  0.75  0.75  0.75  1.0
  Ba  Ba1  1  0.88  0.05  0.05  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.05  0.88  0.05  1.0

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