# generated using pymatgen
data_Ca20Cd3(Ag2Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93988145
_cell_length_b   7.93989099
_cell_length_c   14.78398016
_cell_angle_alpha   90.01564753
_cell_angle_beta   90.05781070
_cell_angle_gamma   91.28149383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20Cd3(Ag2Ir)3
_chemical_formula_sum   'Ca20 Cd3 Ag6 Ir3'
_cell_volume   931.77499494
_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  0.68840901  0.18230903  0.11556877  1.0
  Ca  Ca1  1  0.16768678  0.66643899  0.60815160  1.0
  Ca  Ca2  1  0.31302639  0.82031891  0.11540113  1.0
  Ca  Ca3  1  0.81521477  0.31703814  0.61559786  1.0
  Ca  Ca4  1  0.84466630  0.66216328  0.11465565  1.0
  Ca  Ca5  1  0.34497991  0.16831982  0.61113820  1.0
  Ca  Ca6  1  0.15557728  0.33852366  0.11425365  1.0
  Ca  Ca7  1  0.66681121  0.84350460  0.61068047  1.0
  Ca  Ca8  1  0.82005476  0.31294892  0.88612402  1.0
  Ca  Ca9  1  0.31686881  0.81531568  0.38291520  1.0
  Ca  Ca10  1  0.16357479  0.67147976  0.89319174  1.0
  Ca  Ca11  1  0.68553633  0.18712951  0.38297719  1.0
  Ca  Ca12  1  0.67221458  0.84777283  0.89143089  1.0
  Ca  Ca13  1  0.15984939  0.34276338  0.38348697  1.0
  Ca  Ca14  1  0.34047975  0.16402031  0.89138319  1.0
  Ca  Ca15  1  0.84136245  0.65822380  0.38337893  1.0
  Ca  Ca16  1  0.50378104  0.48882746  0.75362064  1.0
  Ca  Ca17  1  0.00031601  0.00037796  0.25105206  1.0
  Ca  Ca18  1  0.98922665  0.00372173  0.74869520  1.0
  Ca  Ca19  1  0.50009610  0.50057895  0.24638437  1.0
  Cd  Cd20  1  0.50078581  0.50446824  0.50047399  1.0
  Cd  Cd21  1  0.50080177  0.50455661  0.99938103  1.0
  Cd  Cd22  1  0.00463599  0.00096447  0.50074255  1.0
  Ag  Ag23  1  0.37414782  0.87296622  0.75116746  1.0
  Ag  Ag24  1  0.87543103  0.62405255  0.75087342  1.0
  Ag  Ag25  1  0.37873270  0.12325637  0.24922430  1.0
  Ag  Ag26  1  0.12435784  0.37630838  0.75124622  1.0
  Ag  Ag27  1  0.62223041  0.87824012  0.24920500  1.0
  Ag  Ag28  1  0.00399655  0.99971497  0.99917117  1.0
  Ir  Ir29  1  0.62404111  0.12304017  0.75127133  1.0
  Ir  Ir30  1  0.11975622  0.62053192  0.24850179  1.0
  Ir  Ir31  1  0.88134942  0.38012325  0.24865202  1.0