data_Li2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.75
_cell_angle_alpha   99.92
_cell_angle_beta   99.92
_cell_angle_gamma   31.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RePd
_chemical_formula_sum   'Li2 Re1 Pd1'
_cell_volume   57.42
_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  0.74  0.0  0.17  1.0
  Li  Li1  1  0.74  0.0  0.5  1.0
  Re  Re3  1  0.24  0.0  0.34  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Li2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.75
_cell_length_c   4.85
_cell_angle_alpha   99.92
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RePd
_chemical_formula_sum   'Li2 Re1 Pd1'
_cell_volume   57.42
_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  0.17  0.74  1.0
  Li  Li1  1  0.0  0.5  0.74  1.0
  Re  Re2  1  0.0  0.34  0.24  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Li Li Re Pd