data_BaLi2La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   3.76
_cell_angle_alpha   92.04
_cell_angle_beta   92.04
_cell_angle_gamma   100.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2La
_chemical_formula_sum   'Ba1 Li2 La1'
_cell_volume   142.09
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.88  0.38  0.88  1.0
  Li  Li3  1  0.88  0.62  0.88  1.0
  La  La1  1  0.98  0.0  0.0  1.0

data_BaLi2La
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   100.15
_cell_angle_beta   92.04
_cell_angle_gamma   92.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2La
_chemical_formula_sum   'Ba1 Li2 La1'
_cell_volume   142.09
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.88  0.88  0.38  1.0
  Li  Li2  1  0.88  0.88  0.62  1.0
  La  La3  1  -0.0  0.98  0.0  1.0

Ba Li Li La
Ba Li Li La 0 3 - o o 1 2 o o o 