data_[Pr12Si2As4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0382]
_cell_length_b [4.3625]
_cell_length_c [9.2387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SiAs2I3]
_chemical_formula_sum '[Pr12 Si2 As4 I6]'
_cell_volume [767.2650]
_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
[
  Pr  Pr0  4  0.0112  0.0000  0.2182  1.0
  Pr  Pr1  4  0.1525  0.5000  0.1096  1.0
  Pr  Pr2  4  0.1790  0.5000  0.5502  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1666  0.0000  0.3317  1.0
  I  I5  4  0.1664  0.0000  0.8317  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]