# generated using pymatgen
data_Ca11Lu(SiIr)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77013422
_cell_length_b   7.65599690
_cell_length_c   13.25011810
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.86552293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11Lu(SiIr)8
_chemical_formula_sum   'Ca11 Lu1 Si8 Ir8'
_cell_volume   585.33732357
_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  0.63510587  0.22603016  0.25000000  1.0
  Ca  Ca1  1  0.36640513  0.76963028  0.75000000  1.0
  Ca  Ca2  1  0.36683925  0.72587428  0.25000000  1.0
  Ca  Ca3  1  0.13450440  0.39005019  0.10038561  1.0
  Ca  Ca4  1  0.86811945  0.61267010  0.89809231  1.0
  Ca  Ca5  1  0.86811945  0.61267010  0.60190769  1.0
  Ca  Ca6  1  0.86791691  0.88920145  0.39916892  1.0
  Ca  Ca7  1  0.13450440  0.39005019  0.39961439  1.0
  Ca  Ca8  1  0.13101951  0.10954647  0.59958803  1.0
  Ca  Ca9  1  0.13101951  0.10954647  0.90041197  1.0
  Ca  Ca10  1  0.86791691  0.88920145  0.10083108  1.0
  Lu  Lu11  1  0.61683541  0.27060116  0.75000000  1.0
  Si  Si12  1  0.16840745  0.07460221  0.25000000  1.0
  Si  Si13  1  0.83150522  0.93036681  0.75000000  1.0
  Si  Si14  1  0.83322317  0.57470096  0.25000000  1.0
  Si  Si15  1  0.15625810  0.41557086  0.75000000  1.0
  Si  Si16  1  0.58257497  0.25090062  0.99949823  1.0
  Si  Si17  1  0.41950500  0.75048949  0.99756046  1.0
  Si  Si18  1  0.41950500  0.75048949  0.50243954  1.0
  Si  Si19  1  0.58257497  0.25090062  0.50050177  1.0
  Ir  Ir20  1  0.36436625  0.02370620  0.09034044  1.0
  Ir  Ir21  1  0.63706657  0.98283566  0.90730936  1.0
  Ir  Ir22  1  0.63706657  0.98283566  0.59269064  1.0
  Ir  Ir23  1  0.63945301  0.52393258  0.41088163  1.0
  Ir  Ir24  1  0.36436625  0.02370620  0.40965956  1.0
  Ir  Ir25  1  0.36818414  0.47297788  0.59413061  1.0
  Ir  Ir26  1  0.36818414  0.47297788  0.90586939  1.0
  Ir  Ir27  1  0.63945301  0.52393258  0.08911837  1.0