# generated using pymatgen
data_CaPr16Er3Sn16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24349275
_cell_length_b   8.42938696
_cell_length_c   16.09037679
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.09585780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr16Er3Sn16
_chemical_formula_sum   'Ca1 Pr16 Er3 Sn16'
_cell_volume   1118.07994590
_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  0.30499188  0.00119683  0.25000000  1.0
  Pr  Pr1  1  0.36267639  0.83668704  0.87794141  1.0
  Pr  Pr2  1  0.86225988  0.65996756  0.62035867  1.0
  Pr  Pr3  1  0.63360478  0.16332898  0.37981320  1.0
  Pr  Pr4  1  0.13755824  0.33739090  0.11973297  1.0
  Pr  Pr5  1  0.63360478  0.16332898  0.12018680  1.0
  Pr  Pr6  1  0.13755824  0.33739090  0.38026703  1.0
  Pr  Pr7  1  0.36267639  0.83668704  0.62205859  1.0
  Pr  Pr8  1  0.86225988  0.65996756  0.87964133  1.0
  Pr  Pr9  1  0.51518438  0.31810382  0.90160019  1.0
  Pr  Pr10  1  0.01544833  0.17906255  0.59941173  1.0
  Pr  Pr11  1  0.48613896  0.68433294  0.40209908  1.0
  Pr  Pr12  1  0.98748438  0.81970895  0.09711742  1.0
  Pr  Pr13  1  0.48613896  0.68433294  0.09790092  1.0
  Pr  Pr14  1  0.98748438  0.81970895  0.40288258  1.0
  Pr  Pr15  1  0.51518438  0.31810382  0.59839981  1.0
  Pr  Pr16  1  0.01544833  0.17906255  0.90058827  1.0
  Er  Er17  1  0.19367958  0.49912246  0.75000000  1.0
  Er  Er18  1  0.69494839  0.99774604  0.75000000  1.0
  Er  Er19  1  0.80754004  0.49951542  0.25000000  1.0
  Sn  Sn20  1  0.29515041  0.03852174  0.03947656  1.0
  Sn  Sn21  1  0.79378867  0.46694393  0.45381363  1.0
  Sn  Sn22  1  0.70438671  0.96391195  0.54459658  1.0
  Sn  Sn23  1  0.20562182  0.53403905  0.95453712  1.0
  Sn  Sn24  1  0.70438671  0.96391195  0.95540342  1.0
  Sn  Sn25  1  0.20562182  0.53403905  0.54546288  1.0
  Sn  Sn26  1  0.29515041  0.03852174  0.46052344  1.0
  Sn  Sn27  1  0.79378867  0.46694393  0.04618637  1.0
  Sn  Sn28  1  0.55857161  0.61485151  0.75000000  1.0
  Sn  Sn29  1  0.05725185  0.87912150  0.75000000  1.0
  Sn  Sn30  1  0.44164124  0.39282654  0.25000000  1.0
  Sn  Sn31  1  0.93483577  0.12124711  0.25000000  1.0
  Sn  Sn32  1  0.32144483  0.14799736  0.75000000  1.0
  Sn  Sn33  1  0.82312492  0.35033909  0.75000000  1.0
  Sn  Sn34  1  0.68931142  0.85176036  0.25000000  1.0
  Sn  Sn35  1  0.17405758  0.64027395  0.25000000  1.0