data_LaIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Bi
_chemical_formula_sum   'La1 In2 Bi1'
_cell_volume   115.86
_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
  La  La3  1  0.0  0.0  0.65  1.0
  In  In1  1  0.0  0.0  0.18  1.0
  In  In2  1  0.67  0.0  0.62  1.0
  Bi  Bi0  1  0.67  0.0  0.66  1.0

data_LaIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Bi
_chemical_formula_sum   'La1 In2 Bi1'
_cell_volume   115.86
_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
  La  La0  1  0.0  0.0  0.65  1.0
  In  In1  1  0.0  0.0  0.18  1.0
  In  In2  1  0.67  0.0  0.62  1.0
  Bi  Bi3  1  0.67  0.0  0.66  1.0

La In In Bi
La In In Bi 0 2 - o o 0 3 - o o 0 1 o o + 0 1 o o o 1 3 - o - 1 3 - o o 1 3 o o o 1 2 - o - 1 2 - o o 1 2 o o o 1 1 o + o 1 1 + o o 2 3 o o o 