# generated using pymatgen
data_CaPr6ZnI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99089789
_cell_length_b   9.99089709
_cell_length_c   9.99089815
_cell_angle_alpha   106.92325745
_cell_angle_beta   106.92324984
_cell_angle_gamma   106.92324937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr6ZnI12
_chemical_formula_sum   'Ca1 Pr6 Zn1 I12'
_cell_volume   832.27018301
_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  0.97151291  0.89708957  0.68244833  1.0
  Pr  Pr2  1  0.02848709  0.10291043  0.31755167  1.0
  Pr  Pr3  1  0.10291043  0.31755167  0.02848709  1.0
  Pr  Pr4  1  0.31755167  0.02848709  0.10291043  1.0
  Pr  Pr5  1  0.89708957  0.68244833  0.97151291  1.0
  Pr  Pr6  1  0.68244833  0.97151291  0.89708957  1.0
  Zn  Zn7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.53495157  0.61530108  0.84205873  1.0
  I  I9  1  0.46504843  0.38469892  0.15794127  1.0
  I  I10  1  0.31716276  0.92467996  0.76649856  1.0
  I  I11  1  0.38469892  0.15794127  0.46504843  1.0
  I  I12  1  0.92467996  0.76649856  0.31716276  1.0
  I  I13  1  0.68283724  0.07532004  0.23350144  1.0
  I  I14  1  0.07532004  0.23350144  0.68283724  1.0
  I  I15  1  0.76649856  0.31716276  0.92467996  1.0
  I  I16  1  0.23350144  0.68283724  0.07532004  1.0
  I  I17  1  0.84205873  0.53495157  0.61530108  1.0
  I  I18  1  0.15794127  0.46504843  0.38469892  1.0
  I  I19  1  0.61530108  0.84205873  0.53495157  1.0