data_LiLa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   100.55
_cell_angle_beta   100.55
_cell_angle_gamma   129.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2
_chemical_formula_sum   'Li2 La4'
_cell_volume   188.31
_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  Li4  1  0.0  0.0  0.38  1.0
  Li  Li5  1  0.0  0.0  0.14  1.0
  La  La0  1  0.22  0.91  0.76  1.0
  La  La1  1  0.91  0.22  0.0  1.0
  La  La2  1  0.22  0.35  0.0  1.0
  La  La3  1  0.91  0.78  0.76  1.0

data_LiLa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   79.45
_cell_angle_beta   64.67
_cell_angle_gamma   64.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2
_chemical_formula_sum   'Li2 La4'
_cell_volume   188.31
_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  0.62  0.38  0.0  1.0
  Li  Li1  1  0.86  0.14  0.0  1.0
  La  La2  1  0.02  0.76  0.13  1.0
  La  La3  1  0.15  0.76  0.31  1.0
  La  La4  1  0.22  -0.0  0.69  1.0
  La  La5  1  0.35  -0.0  0.87  1.0

Li Li La La La La