data_Na2LiLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   151.48
_cell_angle_beta   129.96
_cell_angle_gamma   58.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiLa
_chemical_formula_sum   'Na2 Li1 La1'
_cell_volume   126.36
_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  Na2  1  0.0  0.97  0.45  1.0
  Na  Na3  1  0.73  0.0  0.69  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  La  La0  1  0.0  0.0  0.13  1.0

data_Na2LiLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.95
_cell_length_c   7.03
_cell_angle_alpha   115.02
_cell_angle_beta   104.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiLa
_chemical_formula_sum   'Na2 Li1 La1'
_cell_volume   126.36
_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  0.05  0.31  0.05  1.0
  Na  Na1  1  0.55  0.53  0.53  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  La  La3  1  0.87  0.87  0.87  1.0

Na Na Li La
Na Na Li La 0 3 o + o 1 2 + o + 2 3 o o o 