# generated using pymatgen
data_CaEr(Al5Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82463574
_cell_length_b   6.82463492
_cell_length_c   9.08676604
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.69951387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr(Al5Os)4
_chemical_formula_sum   'Ca1 Er1 Al20 Os4'
_cell_volume   420.33209865
_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  0.87251296  0.12748704  0.75000000  1.0
  Er  Er1  1  0.12839558  0.87160442  0.25000000  1.0
  Al  Al2  1  0.52133204  0.78385424  0.75000000  1.0
  Al  Al3  1  0.78216459  0.51954461  0.25000000  1.0
  Al  Al4  1  0.48045539  0.21783541  0.25000000  1.0
  Al  Al5  1  0.21614576  0.47866796  0.75000000  1.0
  Al  Al6  1  0.62294434  0.37705566  0.96229885  1.0
  Al  Al7  1  0.37619551  0.62380449  0.05222431  1.0
  Al  Al8  1  0.62294434  0.37705566  0.53770115  1.0
  Al  Al9  1  0.37619551  0.62380449  0.44777569  1.0
  Al  Al10  1  0.40861694  0.14277650  0.75000000  1.0
  Al  Al11  1  0.14234479  0.41422259  0.25000000  1.0
  Al  Al12  1  0.58577741  0.85765521  0.25000000  1.0
  Al  Al13  1  0.85722350  0.59138306  0.75000000  1.0
  Al  Al14  1  0.84675299  0.15324701  0.39986872  1.0
  Al  Al15  1  0.15914728  0.84085272  0.60006567  1.0
  Al  Al16  1  0.84675299  0.15324701  0.10013128  1.0
  Al  Al17  1  0.15914728  0.84085272  0.89993433  1.0
  Al  Al18  1  0.77485600  0.77569142  0.00152021  1.0
  Al  Al19  1  0.77485600  0.77569142  0.49847979  1.0
  Al  Al20  1  0.22430858  0.22514400  0.00152021  1.0
  Al  Al21  1  0.22430858  0.22514400  0.49847979  1.0
  Os  Os22  1  0.49896044  0.00065011  0.00033657  1.0
  Os  Os23  1  0.99934989  0.50103956  0.00033657  1.0
  Os  Os24  1  0.49896044  0.00065011  0.49966343  1.0
  Os  Os25  1  0.99934989  0.50103956  0.49966343  1.0