# generated using pymatgen
data_Ca3Al2SiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76600281
_cell_length_b   7.96799440
_cell_length_c   14.79160447
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Al2SiIr2
_chemical_formula_sum   'Ca12 Al8 Si4 Ir8'
_cell_volume   679.57775634
_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
  Ca  Ca0  1  0.89332229  0.46145021  0.11389253  1.0
  Ca  Ca1  1  0.39332229  0.03854979  0.88610747  1.0
  Ca  Ca2  1  0.60667771  0.96145021  0.38610747  1.0
  Ca  Ca3  1  0.10667771  0.53854979  0.61389253  1.0
  Ca  Ca4  1  0.10667771  0.53854979  0.88610747  1.0
  Ca  Ca5  1  0.60667771  0.96145021  0.11389253  1.0
  Ca  Ca6  1  0.39332229  0.03854979  0.61389253  1.0
  Ca  Ca7  1  0.89332229  0.46145021  0.38610747  1.0
  Ca  Ca8  1  0.39582273  0.30753499  0.25000000  1.0
  Ca  Ca9  1  0.89582273  0.19246501  0.75000000  1.0
  Ca  Ca10  1  0.10417727  0.80753499  0.25000000  1.0
  Ca  Ca11  1  0.60417727  0.69246501  0.75000000  1.0
  Al  Al12  1  0.38481465  0.33680189  0.03521812  1.0
  Al  Al13  1  0.88481465  0.16319811  0.96478188  1.0
  Al  Al14  1  0.11518535  0.83680189  0.46478188  1.0
  Al  Al15  1  0.61518535  0.66319811  0.53521812  1.0
  Al  Al16  1  0.61518535  0.66319811  0.96478188  1.0
  Al  Al17  1  0.11518535  0.83680189  0.03521812  1.0
  Al  Al18  1  0.88481465  0.16319811  0.53521812  1.0
  Al  Al19  1  0.38481465  0.33680189  0.46478188  1.0
  Si  Si20  1  0.92821194  0.15399184  0.25000000  1.0
  Si  Si21  1  0.42821194  0.34600816  0.75000000  1.0
  Si  Si22  1  0.57178806  0.65399184  0.25000000  1.0
  Si  Si23  1  0.07178806  0.84600816  0.75000000  1.0
  Ir  Ir24  1  0.11766537  0.12387802  0.10402246  1.0
  Ir  Ir25  1  0.61766537  0.37612198  0.89597754  1.0
  Ir  Ir26  1  0.38233463  0.62387802  0.39597754  1.0
  Ir  Ir27  1  0.88233463  0.87612198  0.60402246  1.0
  Ir  Ir28  1  0.88233463  0.87612198  0.89597754  1.0
  Ir  Ir29  1  0.38233463  0.62387802  0.10402246  1.0
  Ir  Ir30  1  0.61766537  0.37612198  0.60402246  1.0
  Ir  Ir31  1  0.11766537  0.12387802  0.39597754  1.0