data_NaLiLa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.32
_cell_angle_alpha   104.64
_cell_angle_beta   104.64
_cell_angle_gamma   33.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiLa2
_chemical_formula_sum   'Na1 Li1 La2'
_cell_volume   128.17
_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
  Na  Na3  1  0.59  0.0  0.67  1.0
  Li  Li2  1  0.04  0.0  0.0  1.0
  La  La0  1  0.08  0.0  0.91  1.0
  La  La1  1  0.7  0.0  0.66  1.0

data_NaLiLa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   6.18
_cell_length_c   6.32
_cell_angle_alpha   104.64
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiLa2
_chemical_formula_sum   'Na1 Li1 La2'
_cell_volume   128.17
_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
  Na  Na0  1  0.0  0.41  0.33  1.0
  Li  Li1  1  0.0  0.96  1.0  1.0
  La  La2  1  0.0  0.3  0.34  1.0
  La  La3  1  0.0  0.92  0.09  1.0

Na Li La La