# generated using pymatgen
data_Ca2La17YIr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.39613229
_cell_length_b   11.39613229
_cell_length_c   6.58200080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La17YIr12
_chemical_formula_sum   'Ca2 La17 Y1 Ir12'
_cell_volume   854.81649706
_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
  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  0.28819642  0.08988959  0.40311654  1.0
  La  La3  1  0.28993949  0.90765069  0.90266737  1.0
  La  La4  1  0.71006051  0.09234931  0.90266737  1.0
  La  La5  1  0.71180358  0.91011041  0.40311654  1.0
  La  La6  1  0.59256140  0.79107701  0.90115448  1.0
  La  La7  1  0.58905231  0.20822446  0.40069254  1.0
  La  La8  1  0.41094769  0.79177554  0.40069254  1.0
  La  La9  1  0.40743860  0.20892299  0.90115448  1.0
  La  La10  1  0.20822446  0.41094769  0.59930746  1.0
  La  La11  1  0.20892299  0.59256140  0.09884552  1.0
  La  La12  1  0.79107701  0.40743860  0.09884552  1.0
  La  La13  1  0.79177554  0.58905231  0.59930746  1.0
  La  La14  1  0.90765069  0.71006051  0.09733263  1.0
  La  La15  1  0.91011041  0.28819642  0.59688346  1.0
  La  La16  1  0.08988959  0.71180358  0.59688346  1.0
  La  La17  1  0.09234931  0.28993949  0.09733263  1.0
  La  La18  1  0.50000000  0.50000000  0.50000000  1.0
  Y  Y19  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir20  1  0.84019577  0.15753509  0.25106628  1.0
  Ir  Ir21  1  0.84246491  0.84019577  0.74893372  1.0
  Ir  Ir22  1  0.15753509  0.15980423  0.74893372  1.0
  Ir  Ir23  1  0.15980423  0.84246491  0.25106628  1.0
  Ir  Ir24  1  0.65043753  0.34888050  0.75356797  1.0
  Ir  Ir25  1  0.65111950  0.65043753  0.24643203  1.0
  Ir  Ir26  1  0.34888050  0.34956247  0.24643203  1.0
  Ir  Ir27  1  0.34956247  0.65111950  0.75356797  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.13532266  1.0
  Ir  Ir29  1  0.50000000  0.00000000  0.63491428  1.0
  Ir  Ir30  1  0.00000000  0.50000000  0.86467734  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.36508572  1.0