# generated using pymatgen
data_Ca(La3Ir2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.40279230
_cell_length_b   11.40279230
_cell_length_c   6.59783849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(La3Ir2)3
_chemical_formula_sum   'Ca2 La18 Ir12'
_cell_volume   857.87519012
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  La  La2  1  0.28860411  0.09153003  0.40026184  1.0
  La  La3  1  0.28860411  0.90846997  0.90026184  1.0
  La  La4  1  0.71139589  0.09153003  0.90026184  1.0
  La  La5  1  0.71139589  0.90846997  0.40026184  1.0
  La  La6  1  0.59165063  0.79344433  0.89786831  1.0
  La  La7  1  0.59165063  0.20655567  0.39786831  1.0
  La  La8  1  0.40834937  0.79344433  0.39786831  1.0
  La  La9  1  0.40834937  0.20655567  0.89786831  1.0
  La  La10  1  0.20655567  0.40834937  0.60213169  1.0
  La  La11  1  0.20655567  0.59165063  0.10213169  1.0
  La  La12  1  0.79344433  0.40834937  0.10213169  1.0
  La  La13  1  0.79344433  0.59165063  0.60213169  1.0
  La  La14  1  0.90846997  0.71139589  0.09973816  1.0
  La  La15  1  0.90846997  0.28860411  0.59973816  1.0
  La  La16  1  0.09153003  0.71139589  0.59973816  1.0
  La  La17  1  0.09153003  0.28860411  0.09973816  1.0
  La  La18  1  0.50000000  0.50000000  0.00000000  1.0
  La  La19  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir20  1  0.84131543  0.15868457  0.25000000  1.0
  Ir  Ir21  1  0.84131543  0.84131543  0.75000000  1.0
  Ir  Ir22  1  0.15868457  0.15868457  0.75000000  1.0
  Ir  Ir23  1  0.15868457  0.84131543  0.25000000  1.0
  Ir  Ir24  1  0.65370041  0.34629959  0.75000000  1.0
  Ir  Ir25  1  0.65370041  0.65370041  0.25000000  1.0
  Ir  Ir26  1  0.34629959  0.34629959  0.25000000  1.0
  Ir  Ir27  1  0.34629959  0.65370041  0.75000000  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.13208636  1.0
  Ir  Ir29  1  0.50000000  0.00000000  0.63208636  1.0
  Ir  Ir30  1  0.00000000  0.50000000  0.86791364  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.36791364  1.0