data_[Pr12Si4Sn2I6]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1563]
_cell_length_b [4.4267]
_cell_length_c [9.3195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Si2SnI3]
_chemical_formula_sum '[Pr12 Si4 Sn2 I6]'
_cell_volume [796.9269]
_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  0.0175  0.0000  0.2426  1.0
  Pr  Pr1  4  0.1638  0.5000  0.1285  1.0
  Pr  Pr2  4  0.1790  0.5000  0.5594  1.0
  Si  Si3  4  0.1683  0.0000  0.3399  1.0
  Sn  Sn4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1642  0.0000  0.8345  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]