data_LiBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.9
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiPd2
_chemical_formula_sum   'Li1 Bi1 Pd2'
_cell_volume   72.68
_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  0.65  0.0  0.42  1.0
  Bi  Bi0  1  0.24  0.95  0.69  1.0
  Pd  Pd2  1  0.94  0.95  0.47  1.0
  Pd  Pd3  1  0.62  0.0  0.41  1.0

data_LiBiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.9
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiPd2
_chemical_formula_sum   'Li1 Bi1 Pd2'
_cell_volume   72.68
_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  0.65  0.0  0.42  1.0
  Bi  Bi1  1  0.24  0.95  0.69  1.0
  Pd  Pd2  1  0.62  0.0  0.41  1.0
  Pd  Pd3  1  0.94  0.95  0.47  1.0

Li Bi Pd Pd