data_LiAlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlPd2
_chemical_formula_sum   'Li1 Al1 Pd2'
_cell_volume   56.55
_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  0.0  0.0  0.27  1.0
  Pd  Pd2  1  0.05  0.0  0.7  1.0
  Pd  Pd3  1  0.05  0.0  0.84  1.0

data_LiAlPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiAlPd2
_chemical_formula_sum   'Li1 Al1 Pd2'
_cell_volume   56.57
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.27  1.0
  Pd  Pd2  1  0.05  0.0  0.7  1.0
  Pd  Pd3  1  0.05  0.0  0.84  1.0

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