# generated using pymatgen
data_CaEr5(Si3Os)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07714672
_cell_length_b   10.07714614
_cell_length_c   8.11810914
_cell_angle_alpha   89.95590566
_cell_angle_beta   90.04410180
_cell_angle_gamma   132.50167425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr5(Si3Os)8
_chemical_formula_sum   'Ca1 Er5 Si24 Os8'
_cell_volume   607.78380798
_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  0.49874503  0.99874503  0.25000000  1.0
  Er  Er1  1  0.99975953  0.49975953  0.75000000  1.0
  Er  Er2  1  0.50157878  0.00157878  0.75000000  1.0
  Er  Er3  1  0.99808225  0.49808225  0.25000000  1.0
  Er  Er4  1  0.49971594  0.49965840  0.49985814  1.0
  Er  Er5  1  0.99965840  0.99971594  0.00014186  1.0
  Si  Si6  1  0.39015783  0.15541766  0.00269572  1.0
  Si  Si7  1  0.65541766  0.89015783  0.49730428  1.0
  Si  Si8  1  0.10921473  0.34327056  0.50388236  1.0
  Si  Si9  1  0.84327056  0.60921473  0.99611764  1.0
  Si  Si10  1  0.61044170  0.84575092  0.99292120  1.0
  Si  Si11  1  0.34575092  0.11044170  0.50707880  1.0
  Si  Si12  1  0.89029630  0.65689733  0.49438771  1.0
  Si  Si13  1  0.15689733  0.39029630  0.00561229  1.0
  Si  Si14  1  0.61652847  0.38148363  0.22756021  1.0
  Si  Si15  1  0.88148363  0.11652847  0.27243979  1.0
  Si  Si16  1  0.88639774  0.12028347  0.72577238  1.0
  Si  Si17  1  0.62028347  0.38639774  0.77422762  1.0
  Si  Si18  1  0.38734013  0.62123109  0.77354939  1.0
  Si  Si19  1  0.12123109  0.88734013  0.72645061  1.0
  Si  Si20  1  0.70456592  0.29372630  0.00117042  1.0
  Si  Si21  1  0.79372630  0.20456592  0.49882958  1.0
  Si  Si22  1  0.29508812  0.70536928  0.00016634  1.0
  Si  Si23  1  0.20536928  0.79508812  0.49983366  1.0
  Si  Si24  1  0.16516495  0.16732841  0.33356359  1.0
  Si  Si25  1  0.66732841  0.66516495  0.16643641  1.0
  Si  Si26  1  0.33479079  0.33161759  0.83408751  1.0
  Si  Si27  1  0.83161759  0.83479079  0.66591249  1.0
  Si  Si28  1  0.37647496  0.61153553  0.22793108  1.0
  Si  Si29  1  0.11153553  0.87647496  0.27206892  1.0
  Os  Os30  1  0.62736829  0.62832875  0.87232478  1.0
  Os  Os31  1  0.12832875  0.12736829  0.62767522  1.0
  Os  Os32  1  0.87230879  0.87238197  0.37143795  1.0
  Os  Os33  1  0.37238197  0.37230879  0.12856205  1.0
  Os  Os34  1  0.32883660  0.66711120  0.50244312  1.0
  Os  Os35  1  0.16711120  0.82883660  0.99755688  1.0
  Os  Os36  1  0.67147312  0.33427697  0.50293573  1.0
  Os  Os37  1  0.83427697  0.17147312  0.99706427  1.0