data_LaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   9.39
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2
_chemical_formula_sum   'La2 In4'
_cell_volume   179.24
_cell_formula_units_Z   2
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  La4  1  0.0  0.0  0.0  1.0
  La  La5  1  0.94  0.7  0.46  1.0
  In  In0  1  0.06  0.19  0.0  1.0
  In  In1  1  0.82  0.21  0.0  1.0
  In  In2  1  0.01  0.51  0.46  1.0
  In  In3  1  0.88  0.88  0.46  1.0

data_LaIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.91
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2
_chemical_formula_sum   'La2 In4'
_cell_volume   179.24
_cell_formula_units_Z   2
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  0.0  1.0
  La  La1  1  0.06  0.54  0.3  1.0
  In  In2  1  0.12  0.54  0.12  1.0
  In  In3  1  0.18  0.0  0.79  1.0
  In  In4  1  0.94  0.0  0.81  1.0
  In  In5  1  0.99  0.54  0.49  1.0

La La In In In In