data_La2InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.8
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InIr
_chemical_formula_sum   'La2 In1 Ir1'
_cell_volume   114.5
_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  La2  1  0.6  0.0  0.3  1.0
  La  La3  1  0.56  0.4  0.15  1.0
  In  In0  1  0.54  0.0  0.8  1.0
  Ir  Ir1  1  0.61  0.4  0.34  1.0

data_La2InIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.8
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InIr
_chemical_formula_sum   'La2 In1 Ir1'
_cell_volume   114.5
_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  0.4  0.15  1.0
  La  La1  1  0.6  0.0  0.3  1.0
  In  In2  1  0.54  0.0  0.8  1.0
  Ir  Ir3  1  0.61  0.4  0.34  1.0

La La In Ir