data_La3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   148.09
_cell_angle_beta   64.51
_cell_angle_gamma   125.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3In
_chemical_formula_sum   'La3 In1'
_cell_volume   132.49
_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  La1  1  0.86  0.0  0.95  1.0
  La  La2  1  0.86  0.62  0.01  1.0
  La  La3  1  0.0  0.11  0.11  1.0
  In  In0  1  0.0  0.0  0.08  1.0

data_La3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   6.2
_cell_length_c   6.78
_cell_angle_alpha   117.22
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3In
_chemical_formula_sum   'La3 In1'
_cell_volume   132.49
_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  0.01  0.38  0.25  1.0
  La  La1  1  0.11  1.0  1.0  1.0
  La  La2  1  0.95  0.95  0.81  1.0
  In  In3  1  0.08  0.08  0.08  1.0

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