# generated using pymatgen
data_Ca9Yb3(ErSi2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37421350
_cell_length_b   7.78784275
_cell_length_c   15.02118620
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99151535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Yb3(ErSi2)8
_chemical_formula_sum   'Ca9 Yb3 Er8 Si16'
_cell_volume   862.65492420
_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  0.97390963  0.81633687  0.40395760  1.0
  Ca  Ca1  1  0.47386643  0.68353453  0.09602282  1.0
  Ca  Ca2  1  0.52635108  0.31692548  0.59556257  1.0
  Ca  Ca3  1  0.02553897  0.18383032  0.90434551  1.0
  Ca  Ca4  1  0.02553897  0.18383032  0.59565449  1.0
  Ca  Ca5  1  0.52635108  0.31692548  0.90443743  1.0
  Ca  Ca6  1  0.47386643  0.68353453  0.40397718  1.0
  Ca  Ca7  1  0.97390963  0.81633687  0.09604240  1.0
  Ca  Ca8  1  0.35243702  0.01942003  0.75000000  1.0
  Yb  Yb9  1  0.85261850  0.48084352  0.75000000  1.0
  Yb  Yb10  1  0.14745844  0.51923157  0.25000000  1.0
  Yb  Yb11  1  0.64742232  0.98072053  0.25000000  1.0
  Er  Er12  1  0.31522485  0.17679172  0.12205696  1.0
  Er  Er13  1  0.81522847  0.32316172  0.37793531  1.0
  Er  Er14  1  0.18457347  0.67633730  0.87830092  1.0
  Er  Er15  1  0.68533511  0.82314207  0.62169275  1.0
  Er  Er16  1  0.31522485  0.17679172  0.37794304  1.0
  Er  Er17  1  0.81522847  0.32316172  0.12206469  1.0
  Er  Er18  1  0.18457347  0.67633730  0.62169908  1.0
  Er  Er19  1  0.68533511  0.82314207  0.87830725  1.0
  Si  Si20  1  0.85826858  0.53404424  0.53814453  1.0
  Si  Si21  1  0.35808983  0.96536643  0.96216412  1.0
  Si  Si22  1  0.64180863  0.03414036  0.46156829  1.0
  Si  Si23  1  0.14180342  0.46581624  0.03850263  1.0
  Si  Si24  1  0.14180342  0.46581624  0.46149737  1.0
  Si  Si25  1  0.64180863  0.03414036  0.03843171  1.0
  Si  Si26  1  0.35808983  0.96536643  0.53783588  1.0
  Si  Si27  1  0.85826858  0.53404424  0.96185547  1.0
  Si  Si28  1  0.97586695  0.87989252  0.75000000  1.0
  Si  Si29  1  0.47685802  0.61958164  0.75000000  1.0
  Si  Si30  1  0.52351199  0.38037988  0.25000000  1.0
  Si  Si31  1  0.02347041  0.11958659  0.25000000  1.0
  Si  Si32  1  0.24871445  0.39831311  0.75000000  1.0
  Si  Si33  1  0.74958977  0.10320595  0.75000000  1.0
  Si  Si34  1  0.25102703  0.89737083  0.25000000  1.0
  Si  Si35  1  0.75103013  0.60259828  0.25000000  1.0