data_LaIn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   5.23
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   97.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Ge
_chemical_formula_sum   'La1 In2 Ge1'
_cell_volume   108.84
_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  0.56  0.0  0.72  1.0
  In  In1  1  0.98  0.62  0.23  1.0
  In  In2  1  0.14  0.62  0.21  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_LaIn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.23
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   97.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Ge
_chemical_formula_sum   'La1 In2 Ge1'
_cell_volume   108.84
_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  0.56  0.0  0.72  1.0
  In  In1  1  0.14  0.62  0.21  1.0
  In  In2  1  0.98  0.62  0.23  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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