# generated using pymatgen
data_CaAc(Si2Ir3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71943618
_cell_length_b   6.71646855
_cell_length_c   6.71988970
_cell_angle_alpha   130.05244344
_cell_angle_beta   115.57254414
_cell_angle_gamma   85.67141301
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc(Si2Ir3)2
_chemical_formula_sum   'Ca1 Ac1 Si4 Ir6'
_cell_volume   200.21410113
_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  0.74998723  0.03317712  0.28336031  1.0
  Ac  Ac1  1  0.25025405  0.97833561  0.72850122  1.0
  Si  Si2  1  0.07021562  0.27167688  0.20137766  1.0
  Si  Si3  1  0.91214224  0.70691939  0.79473452  1.0
  Si  Si4  1  0.42960388  0.63056554  0.20086503  1.0
  Si  Si5  1  0.58770291  0.38338790  0.79552618  1.0
  Ir  Ir6  1  0.49252783  0.50269648  0.49517016  1.0
  Ir  Ir7  1  0.00765837  0.50274981  0.01041826  1.0
  Ir  Ir8  1  0.28284461  0.00022828  0.27805168  1.0
  Ir  Ir9  1  0.72245178  0.00011383  0.71714445  1.0
  Ir  Ir10  1  0.21681818  0.49472327  0.71705129  1.0
  Ir  Ir11  1  0.77779331  0.49542889  0.27779923  1.0