data_[Pr12Si4C2I6]
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
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2983]
_cell_length_b [12.6276]
_cell_length_c [8.2255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Si2CI3]
_chemical_formula_sum '[Pr12 Si4 C2 I6]'
_cell_volume [724.4273]
_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  8  0.2153  0.1533  0.1865  1.0
  Pr  Pr1  4  0.2434  0.0000  0.8112  1.0
  Si  Si2  4  0.0000  0.3338  0.0000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1723  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]