data_[Pm6Si4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1353]
_cell_length_b [4.1934]
_cell_length_c [8.0576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3(SiI)2]
_chemical_formula_sum '[Pm6 Si4 I4]'
_cell_volume [471.4267]
_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  0.2447  0.0000  0.7786  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.1251  0.5000  0.9014  1
  I  I3  4  0.1226  0.0000  0.3855  1
]