data_[Cs8Ca4Ag4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5486]
_cell_length_b [21.2852]
_cell_length_c [14.6911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CaAgBr5]
_chemical_formula_sum '[Cs8 Ca4 Ag4 Br20]'
_cell_volume [1422.3525]
_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  0.1151  0.6875  1.0
  Cs  Cs1  4  0.0000  0.1265  0.3128  1.0
  Ca  Ca2  4  0.0000  0.2062  0.0167  1.0
  Ag  Ag3  4  0.0000  0.4386  0.4433  1.0
  Br  Br4  4  0.0000  0.0689  0.0448  1.0
  Br  Br5  4  0.0000  0.2885  0.6477  1.0
  Br  Br6  4  0.0000  0.3051  0.3825  1.0
  Br  Br7  4  0.0000  0.3402  0.0029  1.0
  Br  Br8  4  0.0000  0.4972  0.2858  1.0
]