data_[Cs8Ca4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8294]
_cell_length_b [22.7553]
_cell_length_c [15.5771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CaAgI5]
_chemical_formula_sum '[Cs8 Ca4 Ag4 I20]'
_cell_volume [1711.8404]
_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
[
  Cs  Cs0  4  0.0000  0.1175  0.6908  1.0
  Cs  Cs1  4  0.0000  0.1241  0.3156  1.0
  Ca  Ca2  4  0.0000  0.2047  0.0181  1.0
  Ag  Ag3  4  0.0000  0.4318  0.4382  1.0
  I  I4  4  0.0000  0.0665  0.0388  1.0
  I  I5  4  0.0000  0.2902  0.6535  1.0
  I  I6  4  0.0000  0.3038  0.3793  1.0
  I  I7  4  0.0000  0.3406  0.0049  1.0
  I  I8  4  0.0000  0.4956  0.2849  1.0
]