data_AlSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.49
_cell_angle_alpha   101.53
_cell_angle_beta   101.53
_cell_angle_gamma   40.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSbPd2
_chemical_formula_sum   'Al1 Sb1 Pd2'
_cell_volume   70.57
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.63  0.0  0.68  1.0
  Pd  Pd1  1  0.31  0.0  0.19  1.0
  Pd  Pd2  1  0.95  0.0  0.17  1.0

data_AlSbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.5
_cell_length_c   5.49
_cell_angle_alpha   101.53
_cell_angle_beta   90.0
_cell_angle_gamma   110.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSbPd2
_chemical_formula_sum   'Al1 Sb1 Pd2'
_cell_volume   70.57
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.37  0.32  1.0
  Pd  Pd2  1  0.0  0.05  0.83  1.0
  Pd  Pd3  1  0.0  0.69  0.81  1.0

Al Sb Pd Pd
Al Sb Pd Pd 0 3 - o o 0 1 - o - 0 2 o o o 2 3 - o o 