# generated using pymatgen
data_CaPr6SiI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99094875
_cell_length_b   9.99094781
_cell_length_c   9.99094845
_cell_angle_alpha   107.08911449
_cell_angle_beta   107.08910309
_cell_angle_gamma   107.08910095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr6SiI12
_chemical_formula_sum   'Ca1 Pr6 Si1 I12'
_cell_volume   828.52300305
_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  0.50000000  0.50000000  0.50000000  1.0
  Pr  Pr1  1  0.97224607  0.89888332  0.68825673  1.0
  Pr  Pr2  1  0.02775393  0.10111668  0.31174327  1.0
  Pr  Pr3  1  0.10111668  0.31174327  0.02775393  1.0
  Pr  Pr4  1  0.31174327  0.02775393  0.10111668  1.0
  Pr  Pr5  1  0.89888332  0.68825673  0.97224607  1.0
  Pr  Pr6  1  0.68825673  0.97224607  0.89888332  1.0
  Si  Si7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.53632953  0.61587939  0.84348352  1.0
  I  I9  1  0.46367047  0.38412061  0.15651648  1.0
  I  I10  1  0.31721645  0.92413916  0.76803521  1.0
  I  I11  1  0.38412061  0.15651648  0.46367047  1.0
  I  I12  1  0.92413916  0.76803521  0.31721645  1.0
  I  I13  1  0.68278355  0.07586084  0.23196479  1.0
  I  I14  1  0.07586084  0.23196479  0.68278355  1.0
  I  I15  1  0.76803521  0.31721645  0.92413916  1.0
  I  I16  1  0.23196479  0.68278355  0.07586084  1.0
  I  I17  1  0.84348352  0.53632953  0.61587939  1.0
  I  I18  1  0.15651648  0.46367047  0.38412061  1.0
  I  I19  1  0.61587939  0.84348352  0.53632953  1.0