data_BaSrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   32.07
_cell_angle_beta   32.07
_cell_angle_gamma   32.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrPd2
_chemical_formula_sum   'Ba1 Sr1 Pd2'
_cell_volume   144.51
_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  0.0  0.85  1.0
  Sr  Sr3  1  0.0  0.0  0.8  1.0
  Pd  Pd1  1  0.0  0.0  0.09  1.0
  Pd  Pd2  1  0.0  0.0  0.78  1.0

data_BaSrPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.97
_cell_length_b   4.6
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   108.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSrPd2
_chemical_formula_sum   'Ba2 Sr2 Pd4'
_cell_volume   289.02
_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
  Ba  Ba0  2  -0.0  0.0  0.15  1.0
  Sr  Sr1  2  -0.0  0.0  0.2  1.0
  Pd  Pd2  2  -0.0  0.0  0.91  1.0
  Pd  Pd3  2  -0.0  0.0  0.22  1.0

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