# generated using pymatgen
data_Ca12Al3Ga5Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80750279
_cell_length_b   7.74492909
_cell_length_c   13.82555396
_cell_angle_alpha   89.97343396
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12Al3Ga5Ir8
_chemical_formula_sum   'Ca12 Al3 Ga5 Ir8'
_cell_volume   621.85533906
_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  0.13807429  0.60571530  0.09688591  1.0
  Ca  Ca1  1  0.13807429  0.89428470  0.90311409  1.0
  Ca  Ca2  1  0.85987824  0.10654082  0.40358297  1.0
  Ca  Ca3  1  0.85987824  0.39345918  0.59641703  1.0
  Ca  Ca4  1  0.86230958  0.39420390  0.90281074  1.0
  Ca  Ca5  1  0.86230958  0.10579610  0.09718926  1.0
  Ca  Ca6  1  0.13877577  0.89503261  0.59655270  1.0
  Ca  Ca7  1  0.13877577  0.60496739  0.40344730  1.0
  Ca  Ca8  1  0.37357484  0.25877398  0.25013557  1.0
  Ca  Ca9  1  0.37357484  0.24122602  0.74986443  1.0
  Ca  Ca10  1  0.62660484  0.75890358  0.25073876  1.0
  Ca  Ca11  1  0.62660484  0.74109642  0.74926124  1.0
  Al  Al12  1  0.41386718  0.25000000  0.00000000  1.0
  Al  Al13  1  0.58699932  0.75000000  0.50000000  1.0
  Al  Al14  1  0.58672691  0.75000000  0.00000000  1.0
  Ga  Ga15  1  0.40707276  0.25000000  0.50000000  1.0
  Ga  Ga16  1  0.83506950  0.41391529  0.25012871  1.0
  Ga  Ga17  1  0.83506950  0.08608471  0.74987129  1.0
  Ga  Ga18  1  0.16567010  0.91306842  0.25025513  1.0
  Ga  Ga19  1  0.16567010  0.58693158  0.74974487  1.0
  Ir  Ir20  1  0.64263110  0.47424004  0.09170776  1.0
  Ir  Ir21  1  0.64263110  0.02575996  0.90829224  1.0
  Ir  Ir22  1  0.35765225  0.97280483  0.40745599  1.0
  Ir  Ir23  1  0.35765225  0.52719517  0.59254401  1.0
  Ir  Ir24  1  0.35746794  0.52565131  0.90825347  1.0
  Ir  Ir25  1  0.35746794  0.97434869  0.09174653  1.0
  Ir  Ir26  1  0.64495797  0.02454819  0.59196626  1.0
  Ir  Ir27  1  0.64495797  0.47545181  0.40803374  1.0