data_[Cs8Ca8Cl24]
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 [Cmce]
_cell_length_a [11.1377]
_cell_length_b [16.1176]
_cell_length_c [7.2759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [CsCaCl3]
_chemical_formula_sum '[Cs8 Ca8 Cl24]'
_cell_volume [1306.1074]
_cell_formula_units_Z [8]
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  0.2500  0.1612  0.7500  1.0
  Ca  Ca1  8  0.0000  0.1168  0.3207  1.0
  Cl  Cl2  8  0.0000  0.0500  0.6986  1.0
  Cl  Cl3  8  0.0000  0.2373  0.0265  1.0
  Cl  Cl4  8  0.2500  0.1167  0.2500  1.0
]