data_LiSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.48
_cell_angle_alpha   105.6
_cell_angle_beta   105.6
_cell_angle_gamma   37.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnPd2
_chemical_formula_sum   'Li1 Sn1 Pd2'
_cell_volume   65.47
_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  0.8  0.0  0.85  1.0
  Sn  Sn3  1  0.13  0.0  0.36  1.0
  Pd  Pd1  1  0.94  0.0  0.21  1.0
  Pd  Pd2  1  0.47  0.0  0.02  1.0

data_LiSnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.48
_cell_length_c   5.01
_cell_angle_alpha   105.6
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnPd2
_chemical_formula_sum   'Li1 Sn1 Pd2'
_cell_volume   65.47
_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  0.85  0.8  1.0
  Sn  Sn1  1  0.0  0.36  0.13  1.0
  Pd  Pd2  1  0.0  0.02  0.47  1.0
  Pd  Pd3  1  0.0  0.21  0.94  1.0

Li Sn Pd Pd