# generated using pymatgen
data_CaPa5(Al3Os)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82626129
_cell_length_b   8.82626346
_cell_length_c   9.38044673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.83222237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa5(Al3Os)8
_chemical_formula_sum   'Ca1 Pa5 Al24 Os8'
_cell_volume   633.92747506
_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  0.80381509  0.19618491  0.75000000  1.0
  Pa  Pa1  1  0.19479801  0.39552551  0.25000000  1.0
  Pa  Pa2  1  0.79839363  0.60697465  0.75000000  1.0
  Pa  Pa3  1  0.60447449  0.80520199  0.25000000  1.0
  Pa  Pa4  1  0.39302535  0.20160637  0.75000000  1.0
  Pa  Pa5  1  0.19957960  0.80042040  0.25000000  1.0
  Al  Al6  1  0.33508357  0.66491643  0.01043324  1.0
  Al  Al7  1  0.67032688  0.32967312  0.98180205  1.0
  Al  Al8  1  0.67032688  0.32967312  0.51819795  1.0
  Al  Al9  1  0.33508357  0.66491643  0.48956676  1.0
  Al  Al10  1  0.16064739  0.32390472  0.57847299  1.0
  Al  Al11  1  0.83701629  0.67509884  0.42035323  1.0
  Al  Al12  1  0.67609528  0.83935261  0.57847299  1.0
  Al  Al13  1  0.83701629  0.67509884  0.07964677  1.0
  Al  Al14  1  0.32490116  0.16298371  0.42035323  1.0
  Al  Al15  1  0.16064739  0.32390472  0.92152701  1.0
  Al  Al16  1  0.16237578  0.83762422  0.58122246  1.0
  Al  Al17  1  0.32490116  0.16298371  0.07964677  1.0
  Al  Al18  1  0.83783317  0.16216683  0.42270502  1.0
  Al  Al19  1  0.67609528  0.83935261  0.92152701  1.0
  Al  Al20  1  0.83783317  0.16216683  0.07729498  1.0
  Al  Al21  1  0.16237578  0.83762422  0.91877754  1.0
  Al  Al22  1  0.56488460  0.12968889  0.25000000  1.0
  Al  Al23  1  0.44169389  0.88167152  0.75000000  1.0
  Al  Al24  1  0.87031111  0.43511540  0.25000000  1.0
  Al  Al25  1  0.11832848  0.55830611  0.75000000  1.0
  Al  Al26  1  0.56174186  0.43825814  0.25000000  1.0
  Al  Al27  1  0.43413814  0.56586186  0.75000000  1.0
  Al  Al28  1  0.00038409  0.99961591  0.25000000  1.0
  Al  Al29  1  0.00067354  0.99932646  0.75000000  1.0
  Os  Os30  1  0.49517870  0.99446025  0.00686169  1.0
  Os  Os31  1  0.00553975  0.50482130  0.00686169  1.0
  Os  Os32  1  0.49517870  0.99446025  0.49313831  1.0
  Os  Os33  1  0.50152606  0.49847394  0.99761685  1.0
  Os  Os34  1  0.00553975  0.50482130  0.49313831  1.0
  Os  Os35  1  0.50152606  0.49847394  0.50238315  1.0
  Os  Os36  1  0.00035754  0.99964246  0.00024220  1.0
  Os  Os37  1  0.00035754  0.99964246  0.49975780  1.0