data_[Pm8Ir2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8746]
_cell_length_b [4.2376]
_cell_length_c [9.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm4IrI5]
_chemical_formula_sum '[Pm8 Ir2 I10]'
_cell_volume [749.2909]
_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  0.0001  0.0000  0.2042  1
  Pm  Pm1  4  0.1449  0.5000  0.0768  1
  Ir  Ir2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1680  0.0000  0.3450  1
  I  I4  4  0.1753  0.0000  0.8299  1
  I  I5  2  0.0000  0.5000  0.5000  1
]