data_[Pm8C2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5871]
_cell_length_b [10.4439]
_cell_length_c [10.4788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pm4CI3]
_chemical_formula_sum '[Pm8 C2 I6]'
_cell_volume [611.4447]
_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
[
  Pm  Pm0  4  0.0000  0.2911  0.1526  1
  Pm  Pm1  2  0.0000  0.0000  0.9274  1
  Pm  Pm2  2  0.0000  0.5000  0.8636  1
  C  C3  2  0.0000  0.5000  0.0816  1
  I  I4  4  0.0000  0.2047  0.6836  1
  I  I5  2  0.0000  0.0000  0.2780  1
]