data_[Ca4Ag8Ge4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4968]
_cell_length_b [13.6447]
_cell_length_c [7.9918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaAg2GeI6]
_chemical_formula_sum '[Ca4 Ag8 Ge4 I24]'
_cell_volume [1556.0625]
_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
[
  Ca  Ca0  4  0.0000  0.0877  0.7500  1.0
  Ag  Ag1  8  0.1607  0.4094  0.8096  1.0
  Ge  Ge2  4  0.0000  0.2620  0.2500  1.0
  I  I3  8  0.1214  0.2435  0.6005  1.0
  I  I4  8  0.1221  0.0845  0.1229  1.0
  I  I5  8  0.1265  0.4060  0.1460  1.0
]