# generated using pymatgen
data_CaPr2Y3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06694011
_cell_length_b   13.65834930
_cell_length_c   13.77246049
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr2Y3Se8
_chemical_formula_sum   'Ca2 Pr4 Y6 Se16'
_cell_volume   765.02834602
_cell_formula_units_Z   2
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  0.25000000  0.10517563  0.42198283  1.0
  Ca  Ca1  1  0.25000000  0.60517563  0.07801717  1.0
  Pr  Pr2  1  0.25000000  0.36857480  0.58779818  1.0
  Pr  Pr3  1  0.25000000  0.86857480  0.91220182  1.0
  Pr  Pr4  1  0.75000000  0.63567347  0.40930563  1.0
  Pr  Pr5  1  0.75000000  0.13567347  0.09069437  1.0
  Y  Y6  1  0.75000000  0.89278855  0.57398957  1.0
  Y  Y7  1  0.75000000  0.39278855  0.92601043  1.0
  Y  Y8  1  0.25000000  0.14476393  0.79629439  1.0
  Y  Y9  1  0.25000000  0.64476393  0.70370561  1.0
  Y  Y10  1  0.75000000  0.85568797  0.20386428  1.0
  Y  Y11  1  0.75000000  0.35568797  0.29613572  1.0
  Se  Se12  1  0.25000000  0.21894482  0.23588487  1.0
  Se  Se13  1  0.25000000  0.71894482  0.26411513  1.0
  Se  Se14  1  0.75000000  0.78411097  0.76206255  1.0
  Se  Se15  1  0.75000000  0.28411097  0.73793745  1.0
  Se  Se16  1  0.25000000  0.25264369  0.97381394  1.0
  Se  Se17  1  0.25000000  0.75264369  0.52618606  1.0
  Se  Se18  1  0.75000000  0.75133700  0.02389284  1.0
  Se  Se19  1  0.75000000  0.25133700  0.47610716  1.0
  Se  Se20  1  0.25000000  0.47281701  0.38568830  1.0
  Se  Se21  1  0.25000000  0.97281701  0.11431170  1.0
  Se  Se22  1  0.75000000  0.53188424  0.61124120  1.0
  Se  Se23  1  0.75000000  0.03188424  0.88875880  1.0
  Se  Se24  1  0.25000000  0.02597703  0.62835296  1.0
  Se  Se25  1  0.25000000  0.52597703  0.87164704  1.0
  Se  Se26  1  0.75000000  0.95962288  0.38080850  1.0
  Se  Se27  1  0.75000000  0.45962288  0.11919150  1.0