data_Sr2CoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CoPd
_chemical_formula_sum   'Sr2 Co1 Pd1'
_cell_volume   100.25
_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  0.59  0.0  0.52  1.0
  Sr  Sr3  1  0.59  0.0  0.82  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.67  1.0

data_Sr2CoPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2CoPd
_chemical_formula_sum   'Sr2 Co1 Pd1'
_cell_volume   100.27
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.59  0.0  0.52  1.0
  Sr  Sr1  1  0.59  0.0  0.82  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.67  1.0

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