data_LiSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   136.59
_cell_angle_beta   136.59
_cell_angle_gamma   63.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiPd2
_chemical_formula_sum   'Li1 Si1 Pd2'
_cell_volume   54.45
_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
  Si  Si3  1  0.0  0.81  0.08  1.0
  Pd  Pd1  1  0.81  0.0  0.08  1.0
  Pd  Pd2  1  0.0  0.0  0.17  1.0

data_LiSiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   4.89
_cell_angle_alpha   111.7
_cell_angle_beta   111.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiPd2
_chemical_formula_sum   'Li1 Si1 Pd2'
_cell_volume   54.45
_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
  Si  Si1  1  0.28  0.08  0.28  1.0
  Pd  Pd2  1  0.08  0.28  0.28  1.0
  Pd  Pd3  1  0.17  0.17  0.17  1.0

Li Si Pd Pd