data_La2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.55
_cell_length_b   18.55
_cell_length_c   18.55
_cell_angle_alpha   166.95
_cell_angle_beta   166.95
_cell_angle_gamma   18.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ir
_chemical_formula_sum   'La8 Ir4'
_cell_volume   325.53
_cell_formula_units_Z   4
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  0.82  1.0
  La  La5  1  0.0  0.0  0.8  1.0
  La  La6  1  0.0  0.11  0.98  1.0
  La  La7  1  0.0  0.11  0.33  1.0
  La  La8  1  0.0  0.0  0.18  1.0
  La  La9  1  0.0  0.0  0.45  1.0
  La  La10  1  0.11  0.0  0.02  1.0
  La  La11  1  0.11  0.0  0.29  1.0
  Ir  Ir0  1  0.0  0.0  0.49  1.0
  Ir  Ir1  1  0.0  0.0  0.14  1.0
  Ir  Ir2  1  0.0  0.11  0.65  1.0
  Ir  Ir3  1  0.0  0.11  0.67  1.0

data_La2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   18.55
_cell_angle_alpha   96.52
_cell_angle_beta   96.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ir
_chemical_formula_sum   'La8 Ir4'
_cell_volume   325.53
_cell_formula_units_Z   4
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  0.13  0.11  0.13  1.0
  La  La1  1  0.18  0.0  0.18  1.0
  La  La2  1  0.2  0.0  0.2  1.0
  La  La3  1  0.55  0.0  0.55  1.0
  La  La4  1  0.71  0.0  0.82  1.0
  La  La5  1  0.77  0.11  0.77  1.0
  La  La6  1  0.82  0.0  0.82  1.0
  La  La7  1  0.98  0.0  0.09  1.0
  Ir  Ir8  1  0.44  0.11  0.44  1.0
  Ir  Ir9  1  0.46  0.11  0.46  1.0
  Ir  Ir10  1  0.51  0.0  0.51  1.0
  Ir  Ir11  1  0.86  0.0  0.86  1.0

La La La La La La La La Ir Ir Ir Ir