data_Li2LaSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   5.01
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaSc
_chemical_formula_sum   'Li2 La1 Sc1'
_cell_volume   101.73
_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  0.57  0.5  0.06  1.0
  Li  Li2  1  0.57  0.5  0.42  1.0
  La  La0  1  0.0  0.0  0.24  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0

data_Li2LaSc
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.14
_cell_length_b   5.01
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Li2LaSc
_chemical_formula_sum   'Li2 La1 Sc1'
_cell_volume   101.73
_cell_formula_units_Z   1
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  1  0.57  0.5  0.06  1.0
  Li  Li1  1  0.57  0.5  0.42  1.0
  La  La2  1  0.0  0.0  0.24  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0

Li Li La Sc