data_[Cs8Ca2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [11.4529]
_cell_length_b [11.4529]
_cell_length_c [6.8530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Cs4CaCl5]
_chemical_formula_sum '[Cs8 Ca2 Cl10]'
_cell_volume [898.8930]
_cell_formula_units_Z [2]
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  8  0.1139  0.7013  0.4979  1.0
  Ca  Ca1  2  0.0000  0.0000  0.9471  1.0
  Cl  Cl2  8  0.0787  0.7756  0.9997  1.0
  Cl  Cl3  2  0.0000  0.0000  0.5523  1.0
]