# generated using pymatgen
data_Pr7CuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97058312
_cell_length_b   9.97058338
_cell_length_c   9.97058369
_cell_angle_alpha   107.72307437
_cell_angle_beta   107.72307770
_cell_angle_gamma   107.72308095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7CuI12
_chemical_formula_sum   'Pr7 Cu1 I12'
_cell_volume   808.64686035
_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
  Pr  Pr0  1  0.81529926  0.53834750  0.61006599  1.0
  Pr  Pr1  1  0.53834750  0.61006599  0.81529926  1.0
  Pr  Pr2  1  0.18470074  0.46165250  0.38993401  1.0
  Pr  Pr3  1  0.46165250  0.38993401  0.18470074  1.0
  Pr  Pr4  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr5  1  0.61006599  0.81529926  0.53834750  1.0
  Pr  Pr6  1  0.38993401  0.18470074  0.46165250  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1.0
  I  I8  1  0.72936026  0.18627470  0.57758534  1.0
  I  I9  1  0.97978395  0.89565511  0.65440464  1.0
  I  I10  1  0.57758534  0.72936026  0.18627470  1.0
  I  I11  1  0.10434489  0.34559536  0.02021605  1.0
  I  I12  1  0.65440464  0.97978395  0.89565511  1.0
  I  I13  1  0.89565511  0.65440464  0.97978395  1.0
  I  I14  1  0.02021605  0.10434489  0.34559536  1.0
  I  I15  1  0.81372530  0.42241466  0.27063974  1.0
  I  I16  1  0.34559536  0.02021605  0.10434489  1.0
  I  I17  1  0.27063974  0.81372530  0.42241466  1.0
  I  I18  1  0.18627470  0.57758534  0.72936026  1.0
  I  I19  1  0.42241466  0.27063974  0.81372530  1.0