data_SrAlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.94
_cell_angle_alpha   110.99
_cell_angle_beta   110.99
_cell_angle_gamma   58.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlPd2
_chemical_formula_sum   'Sr1 Al1 Pd2'
_cell_volume   88.21
_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  Sr3  1  0.59  0.0  0.71  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.11  0.0  0.84  1.0
  Pd  Pd2  1  0.08  0.0  0.58  1.0

data_SrAlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.37
_cell_length_c   5.94
_cell_angle_alpha   110.99
_cell_angle_beta   90.0
_cell_angle_gamma   119.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlPd2
_chemical_formula_sum   'Sr1 Al1 Pd2'
_cell_volume   88.21
_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  0.41  0.29  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.89  0.16  1.0
  Pd  Pd3  1  0.0  0.92  0.42  1.0

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