data_LiAlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.03
_cell_angle_alpha   101.7
_cell_angle_beta   101.7
_cell_angle_gamma   39.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlPd2
_chemical_formula_sum   'Li1 Al1 Pd2'
_cell_volume   58.7
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.54  0.0  0.46  1.0
  Pd  Pd2  1  0.15  0.0  0.66  1.0
  Pd  Pd3  1  0.92  0.0  0.25  1.0

data_LiAlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.34
_cell_length_c   5.03
_cell_angle_alpha   101.7
_cell_angle_beta   90.0
_cell_angle_gamma   109.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlPd2
_chemical_formula_sum   'Li1 Al1 Pd2'
_cell_volume   58.7
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.46  0.54  1.0
  Pd  Pd2  1  0.0  0.08  0.75  1.0
  Pd  Pd3  1  0.0  0.85  0.34  1.0

Li Al Pd Pd