data_[Cs8Na4Ca4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3852]
_cell_length_b [19.3723]
_cell_length_c [15.0323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2NaCaCl5]
_chemical_formula_sum '[Cs8 Na4 Ca4 Cl20]'
_cell_volume [1277.0125]
_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  0.0931  0.6641  1.0
  Cs  Cs1  4  0.0000  0.1377  0.3035  1.0
  Na  Na2  4  0.0000  0.4461  0.4493  1.0
  Ca  Ca3  4  0.0000  0.2150  0.0231  1.0
  Cl  Cl4  4  0.0000  0.0731  0.0509  1.0
  Cl  Cl5  4  0.0000  0.2742  0.6437  1.0
  Cl  Cl6  4  0.0000  0.3056  0.4057  1.0
  Cl  Cl7  4  0.0000  0.3530  0.9937  1.0
  Cl  Cl8  4  0.0000  0.4992  0.7900  1.0
]