# generated using pymatgen
data_CaPa(Al5Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81949775
_cell_length_b   6.81949739
_cell_length_c   9.09047367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.03888478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa(Al5Os)4
_chemical_formula_sum   'Ca1 Pa1 Al20 Os4'
_cell_volume   419.57121890
_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  0.12785780  0.87214220  0.25000000  1.0
  Pa  Pa1  1  0.87296266  0.12703734  0.75000000  1.0
  Al  Al2  1  0.51846865  0.77966539  0.75000000  1.0
  Al  Al3  1  0.78245892  0.51913797  0.25000000  1.0
  Al  Al4  1  0.48086203  0.21754108  0.25000000  1.0
  Al  Al5  1  0.22033461  0.48153135  0.75000000  1.0
  Al  Al6  1  0.62128170  0.37871830  0.94354082  1.0
  Al  Al7  1  0.37603423  0.62396577  0.04494254  1.0
  Al  Al8  1  0.62128170  0.37871830  0.55645918  1.0
  Al  Al9  1  0.37603423  0.62396577  0.45505746  1.0
  Al  Al10  1  0.40382929  0.13767476  0.75000000  1.0
  Al  Al11  1  0.14538943  0.41460591  0.25000000  1.0
  Al  Al12  1  0.58539409  0.85461057  0.25000000  1.0
  Al  Al13  1  0.86232524  0.59617071  0.75000000  1.0
  Al  Al14  1  0.83858571  0.16141429  0.39705873  1.0
  Al  Al15  1  0.15509042  0.84490958  0.59970133  1.0
  Al  Al16  1  0.83858571  0.16141429  0.10294127  1.0
  Al  Al17  1  0.15509042  0.84490958  0.90029867  1.0
  Al  Al18  1  0.77662063  0.77255317  0.00147317  1.0
  Al  Al19  1  0.77662063  0.77255317  0.49852683  1.0
  Al  Al20  1  0.22744683  0.22337937  0.00147317  1.0
  Al  Al21  1  0.22744683  0.22337937  0.49852683  1.0
  Os  Os22  1  0.50558983  0.00059020  0.99627528  1.0
  Os  Os23  1  0.99940980  0.49441017  0.99627528  1.0
  Os  Os24  1  0.50558983  0.00059020  0.50372472  1.0
  Os  Os25  1  0.99940980  0.49441017  0.50372472  1.0