data_Sr2CaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.07
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   105.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaPd
_chemical_formula_sum   'Sr2 Ca1 Pd1'
_cell_volume   154.06
_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  Sr2  1  0.35  0.0  0.82  1.0
  Sr  Sr3  1  0.76  0.03  0.37  1.0
  Ca  Ca0  1  0.05  0.0  0.68  1.0
  Pd  Pd1  1  0.04  0.03  0.43  1.0

data_Sr2CaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.62
_cell_length_c   8.49
_cell_angle_alpha   105.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaPd
_chemical_formula_sum   'Sr2 Ca1 Pd1'
_cell_volume   154.06
_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  0.0  0.65  0.18  1.0
  Sr  Sr1  1  0.97  0.24  0.63  1.0
  Ca  Ca2  1  0.0  0.95  0.32  1.0
  Pd  Pd3  1  0.97  0.96  0.57  1.0

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