# generated using pymatgen
data_CaEr5(Si3Ru)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.06335068
_cell_length_b   10.06335008
_cell_length_c   8.08705547
_cell_angle_alpha   89.95388120
_cell_angle_beta   90.04612172
_cell_angle_gamma   132.63918974
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr5(Si3Ru)8
_chemical_formula_sum   'Ca1 Er5 Si24 Ru8'
_cell_volume   602.47245997
_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  0.49767982  0.99767982  0.25000000  1.0
  Er  Er1  1  0.00171146  0.50171146  0.75000000  1.0
  Er  Er2  1  0.50299143  0.00299143  0.75000000  1.0
  Er  Er3  1  0.99697513  0.49697513  0.25000000  1.0
  Er  Er4  1  0.49970762  0.49964624  0.49966730  1.0
  Er  Er5  1  0.99964624  0.99970762  0.00033270  1.0
  Si  Si6  1  0.38968406  0.15546257  0.00327893  1.0
  Si  Si7  1  0.65546257  0.88968406  0.49672107  1.0
  Si  Si8  1  0.10996637  0.34350508  0.50481333  1.0
  Si  Si9  1  0.84350508  0.60996637  0.99518667  1.0
  Si  Si10  1  0.61063280  0.84537401  0.99285425  1.0
  Si  Si11  1  0.34537401  0.11063280  0.50714575  1.0
  Si  Si12  1  0.88970030  0.65663173  0.49426999  1.0
  Si  Si13  1  0.15663173  0.38970030  0.00573001  1.0
  Si  Si14  1  0.61518337  0.38061497  0.22756292  1.0
  Si  Si15  1  0.88061497  0.11518337  0.27243708  1.0
  Si  Si16  1  0.88761547  0.12117611  0.72646027  1.0
  Si  Si17  1  0.62117611  0.38761547  0.77353973  1.0
  Si  Si18  1  0.38795455  0.62153743  0.77301350  1.0
  Si  Si19  1  0.12153743  0.88795455  0.72698650  1.0
  Si  Si20  1  0.70530837  0.29385232  0.00068142  1.0
  Si  Si21  1  0.79385232  0.20530837  0.49931858  1.0
  Si  Si22  1  0.29453490  0.70556338  0.99991887  1.0
  Si  Si23  1  0.20556338  0.79453490  0.50008113  1.0
  Si  Si24  1  0.16539294  0.16645414  0.33383923  1.0
  Si  Si25  1  0.66645414  0.66539294  0.16616077  1.0
  Si  Si26  1  0.33440293  0.33223851  0.83421136  1.0
  Si  Si27  1  0.83223851  0.83440293  0.66578864  1.0
  Si  Si28  1  0.37645689  0.61099171  0.22779782  1.0
  Si  Si29  1  0.11099171  0.87645689  0.27220218  1.0
  Ru  Ru30  1  0.62671074  0.62758804  0.87274550  1.0
  Ru  Ru31  1  0.12758804  0.12671074  0.62725450  1.0
  Ru  Ru32  1  0.87266854  0.87279275  0.37214081  1.0
  Ru  Ru33  1  0.37279275  0.37266854  0.12785919  1.0
  Ru  Ru34  1  0.32868400  0.66735600  0.50213922  1.0
  Ru  Ru35  1  0.16735600  0.82868400  0.99786078  1.0
  Ru  Ru36  1  0.67158671  0.33366665  0.50262980  1.0
  Ru  Ru37  1  0.83366665  0.17158671  0.99737020  1.0