data_[Li4Fe4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  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 [12.2653]
_cell_length_b [10.9097]
_cell_length_c [10.7557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiFeAgI5]
_chemical_formula_sum '[Li4 Fe4 Ag4 I20]'
_cell_volume [1299.6986]
_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
[
  Li  Li0  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.0000  0.3445  0.2500  1.0
  Ag  Ag2  4  0.0000  0.3665  0.7500  1.0
  I  I3  8  0.1210  0.2113  0.1597  1.0
  I  I4  8  0.1581  0.4726  0.4486  1.0
  I  I5  4  0.0000  0.1171  0.7500  1.0
]