data_[Pm8Sb4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5885]
_cell_length_b [6.7371]
_cell_length_c [9.4604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm4Sb2I]
_chemical_formula_sum '[Pm8 Sb4 I2]'
_cell_volume [463.8650]
_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  0.4540  0.5041  0.7531  1
  Pm  Pm1  2  0.0236  0.7500  0.8332  1
  Pm  Pm2  2  0.0397  0.7500  0.4495  1
  Sb  Sb3  2  0.2903  0.2500  0.9643  1
  Sb  Sb4  2  0.3146  0.2500  0.4494  1
  I  I5  2  0.1861  0.7500  0.1784  1
]