data_LiLa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54
_cell_length_b   11.54
_cell_length_c   11.54
_cell_angle_alpha   18.0
_cell_angle_beta   18.0
_cell_angle_gamma   18.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Bi
_chemical_formula_sum   'Li1 La2 Bi1'
_cell_volume   127.96
_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  Li3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.5  1.0
  La  La2  1  0.0  0.0  0.54  1.0
  Bi  Bi0  1  0.0  0.0  0.02  1.0

data_LiLa2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.25
_cell_length_b   3.61
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLa2Bi
_chemical_formula_sum   'Li2 La4 Bi2'
_cell_volume   255.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.46  1.0
  La  La2  2  0.0  0.0  0.5  1.0
  Bi  Bi3  2  0.0  0.0  0.98  1.0

Li La La Bi
Li La La Bi 0 3 o o o 1 2 o o o 