data_[Pm4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7772]
_cell_length_b [11.0455]
_cell_length_c [11.3735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PmAgI5]
_chemical_formula_sum '[Pm4 Ag4 I20]'
_cell_volume [1474.7778]
_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
[
  Pm  Pm0  4  0.0000  0.3172  0.2500  1
  Ag  Ag1  4  0.0000  0.0000  0.0000  1
  I  I2  8  0.0334  0.2452  0.0007  1
  I  I3  8  0.1966  0.4772  0.3661  1
  I  I4  4  0.0000  0.0297  0.2500  1
]