data_Li3Gd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Gd
_chemical_formula_sum   'Li6 Gd2'
_cell_volume   179.85
_cell_formula_units_Z   2
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  0.44  0.83  0.26  1.0
  Li  Li1  1  0.98  0.83  0.26  1.0
  Li  Li2  1  0.21  0.9  0.26  1.0
  Li  Li3  1  0.77  0.73  0.78  1.0
  Li  Li4  1  0.23  0.73  0.78  1.0
  Li  Li5  1  0.0  0.66  0.78  1.0
  Gd  Gd6  1  0.21  0.85  0.78  1.0
  Gd  Gd7  1  0.0  0.71  0.26  1.0

data_Li3Gd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.04
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li3Gd
_chemical_formula_sum   'Li6 Gd2'
_cell_volume   179.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.1  0.62  1.0
  Li  Li1  2  0.24  0.34  0.55  1.0
  Li  Li2  2  0.24  0.87  0.55  1.0
  Gd  Gd3  2  0.24  0.9  0.43  1.0

Li Li Li Li Li Li Gd Gd