data_[Nb4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [10.9580]
_cell_length_b [11.0197]
_cell_length_c [11.0927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbAgI5]
_chemical_formula_sum '[Nb4 Ag4 I20]'
_cell_volume [1173.9184]
_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
[
  Nb  Nb0  4  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.3736  0.7500  1
  I  I2  8  0.0621  0.2438  0.9889  1
  I  I3  8  0.2166  0.4440  0.3520  1
  I  I4  4  0.0000  0.0733  0.2500  1
]