# generated using pymatgen
data_Ca2Si5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23439562
_cell_length_b   8.23439531
_cell_length_c   8.23439557
_cell_angle_alpha   139.71562738
_cell_angle_beta   107.15070109
_cell_angle_gamma   86.69043241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Si5Ir3
_chemical_formula_sum   'Ca4 Si10 Ir6'
_cell_volume   332.08082891
_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  0.86443390  0.63376228  0.23067162  1.0
  Ca  Ca1  1  0.13556610  0.36623772  0.76932838  1.0
  Ca  Ca2  1  0.40308967  0.13376228  0.26932838  1.0
  Ca  Ca3  1  0.59691033  0.86623772  0.73067162  1.0
  Si  Si4  1  0.50000000  0.75000000  0.25000000  1.0
  Si  Si5  1  0.50000000  0.25000000  0.75000000  1.0
  Si  Si6  1  0.21621999  0.96621999  0.75000000  1.0
  Si  Si7  1  0.78378001  0.53378001  0.75000000  1.0
  Si  Si8  1  0.78378001  0.03378001  0.25000000  1.0
  Si  Si9  1  0.21621999  0.46621999  0.25000000  1.0
  Si  Si10  1  0.05861404  0.89772708  0.16088697  1.0
  Si  Si11  1  0.94138596  0.10227292  0.83911303  1.0
  Si  Si12  1  0.73684111  0.39772708  0.33911303  1.0
  Si  Si13  1  0.26315889  0.60227292  0.66088697  1.0
  Ir  Ir14  1  0.00000000  0.75000000  0.75000000  1.0
  Ir  Ir15  1  0.00000000  0.25000000  0.25000000  1.0
  Ir  Ir16  1  0.25477129  0.85851810  0.39625319  1.0
  Ir  Ir17  1  0.74522871  0.14148190  0.60374681  1.0
  Ir  Ir18  1  0.46226491  0.35851810  0.10374681  1.0
  Ir  Ir19  1  0.53773509  0.64148190  0.89625319  1.0