data_[K8Pm4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pm  1.1300  1.8500  1.1100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.0178]
_cell_length_b [8.7621]
_cell_length_c [8.1339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K2PmCl5]
_chemical_formula_sum '[K8 Pm4 Cl20]'
_cell_volume [927.7878]
_cell_formula_units_Z [4]
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
[
  K  K0  8  0.1729  0.5029  0.4543  1
  Pm  Pm1  4  0.0054  0.7500  0.9260  1
  Cl  Cl2  8  0.0782  0.0422  0.8400  1
  Cl  Cl3  4  0.0103  0.7500  0.5844  1
  Cl  Cl4  4  0.1758  0.7500  0.1274  1
  Cl  Cl5  4  0.2003  0.2500  0.1647  1
]