# generated using pymatgen
data_La12Ir3PdI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.03543509
_cell_length_b   11.03543504
_cell_length_c   11.03543426
_cell_angle_alpha   109.62566546
_cell_angle_beta   109.62566710
_cell_angle_gamma   109.62567361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Ir3PdI12
_chemical_formula_sum   'La12 Ir3 Pd1 I12'
_cell_volume   1028.57970860
_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  0.45860813  0.48421801  0.22497755  1.0
  La  La1  1  0.75000000  0.22806594  0.27193406  1.0
  La  La2  1  0.75000000  0.02273352  0.47726648  1.0
  La  La3  1  0.22497755  0.45860813  0.48421801  1.0
  La  La4  1  0.27193406  0.75000000  0.22806594  1.0
  La  La5  1  0.04139187  0.27502245  0.01578199  1.0
  La  La6  1  0.01578199  0.04139187  0.27502245  1.0
  La  La7  1  0.47726648  0.75000000  0.02273352  1.0
  La  La8  1  0.48421801  0.22497755  0.45860813  1.0
  La  La9  1  0.02273352  0.47726648  0.75000000  1.0
  La  La10  1  0.27502245  0.01578199  0.04139187  1.0
  La  La11  1  0.22806594  0.27193406  0.75000000  1.0
  Ir  Ir12  1  0.49923030  0.00076970  0.25000000  1.0
  Ir  Ir13  1  0.00076970  0.25000000  0.49923030  1.0
  Ir  Ir14  1  0.25000000  0.49923030  0.00076970  1.0
  Pd  Pd15  1  0.25000000  0.25000000  0.25000000  1.0
  I  I16  1  0.25000000  0.76038240  0.73961760  1.0
  I  I17  1  0.51818262  0.50927472  0.75882880  1.0
  I  I18  1  0.98181738  0.74117120  0.99072528  1.0
  I  I19  1  0.73961760  0.25000000  0.76038240  1.0
  I  I20  1  0.99072528  0.98181738  0.74117120  1.0
  I  I21  1  0.25000000  0.99131730  0.50868270  1.0
  I  I22  1  0.75882880  0.51818262  0.50927472  1.0
  I  I23  1  0.50868270  0.25000000  0.99131730  1.0
  I  I24  1  0.76038240  0.73961760  0.25000000  1.0
  I  I25  1  0.74117120  0.99072528  0.98181738  1.0
  I  I26  1  0.99131730  0.50868270  0.25000000  1.0
  I  I27  1  0.50927472  0.75882880  0.51818262  1.0