data_[Pm12C4Se2I6]
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
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9523]
_cell_length_b [12.0449]
_cell_length_c [7.9941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6C2SeI3]
_chemical_formula_sum '[Pm12 C4 Se2 I6]'
_cell_volume [640.5700]
_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  8  0.2400  0.1810  0.1770  1
  Pm  Pm1  4  0.1969  0.5000  0.1760  1
  C  C2  4  0.0000  0.3332  0.0000  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
  I  I4  4  0.0000  0.1625  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]