data_Li2LaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   121.68
_cell_angle_beta   121.68
_cell_angle_gamma   87.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaPd
_chemical_formula_sum   'Li2 La1 Pd1'
_cell_volume   86.98
_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
  Li  Li2  1  0.45  0.0  0.82  1.0
  La  La0  1  0.0  0.45  0.82  1.0
  Pd  Pd3  1  0.0  0.0  0.64  1.0

data_Li2LaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.02
_cell_angle_alpha   119.16
_cell_angle_beta   119.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaPd
_chemical_formula_sum   'Li2 La1 Pd1'
_cell_volume   86.98
_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
  Li  Li1  1  0.82  0.37  0.37  1.0
  La  La2  1  0.37  0.82  0.37  1.0
  Pd  Pd3  1  0.64  0.64  0.64  1.0

Li Li La Pd