# generated using pymatgen
data_CaEr(Al5Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71447277
_cell_length_b   6.71447239
_cell_length_c   8.88109398
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.35934906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr(Al5Fe)4
_chemical_formula_sum   'Ca1 Er1 Al20 Fe4'
_cell_volume   397.09815297
_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  0.87626345  0.12373655  0.75000000  1.0
  Er  Er1  1  0.12477310  0.87522690  0.25000000  1.0
  Al  Al2  1  0.62532186  0.37467814  0.54256651  1.0
  Al  Al3  1  0.37450679  0.62549321  0.44822830  1.0
  Al  Al4  1  0.37450679  0.62549321  0.05177170  1.0
  Al  Al5  1  0.62532186  0.37467814  0.95743349  1.0
  Al  Al6  1  0.22743628  0.22787640  0.49882941  1.0
  Al  Al7  1  0.77212360  0.77256372  0.49882941  1.0
  Al  Al8  1  0.77212360  0.77256372  0.00117059  1.0
  Al  Al9  1  0.22743628  0.22787640  0.00117059  1.0
  Al  Al10  1  0.84370261  0.15629739  0.09687783  1.0
  Al  Al11  1  0.16040427  0.83959573  0.90380911  1.0
  Al  Al12  1  0.16040427  0.83959573  0.59619089  1.0
  Al  Al13  1  0.84370261  0.15629739  0.40312217  1.0
  Al  Al14  1  0.86752061  0.58882904  0.75000000  1.0
  Al  Al15  1  0.13223684  0.41524753  0.25000000  1.0
  Al  Al16  1  0.41117096  0.13247939  0.75000000  1.0
  Al  Al17  1  0.58475247  0.86776316  0.25000000  1.0
  Al  Al18  1  0.21884024  0.47692166  0.75000000  1.0
  Al  Al19  1  0.78086966  0.52232671  0.25000000  1.0
  Al  Al20  1  0.52307834  0.78115976  0.75000000  1.0
  Al  Al21  1  0.47767329  0.21913034  0.25000000  1.0
  Fe  Fe22  1  0.99964858  0.50173248  0.49913902  1.0
  Fe  Fe23  1  0.99964858  0.50173248  0.00086098  1.0
  Fe  Fe24  1  0.49826752  0.00035142  0.00086098  1.0
  Fe  Fe25  1  0.49826752  0.00035142  0.49913902  1.0