data_[Cs2K4Ca4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6980]
_cell_length_b [7.6708]
_cell_length_c [13.9448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK2Ca2Cl7]
_chemical_formula_sum '[Cs2 K4 Ca4 Cl14]'
_cell_volume [792.6510]
_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  2  0.0000  0.0000  0.0000  1.0
  K  K1  4  0.1448  0.0000  0.3675  1.0
  Ca  Ca2  4  0.0995  0.5000  0.2068  1.0
  Cl  Cl3  8  0.1537  0.2525  0.7967  1.0
  Cl  Cl4  4  0.2220  0.5000  0.4056  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0000  1.0
]