data_[K4I4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1491]
_cell_length_b [15.8197]
_cell_length_c [7.9491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2I2Cl7]
_chemical_formula_sum '[K4 I4 Cl14]'
_cell_volume [893.6899]
_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
[
  K  K0  4  0.4047  0.1531  0.0377  1
  I  I1  4  0.1495  0.6159  0.8006  1
  Cl  Cl2  4  0.1408  0.2049  0.6877  1
  Cl  Cl3  4  0.3246  0.7490  0.1684  1
  Cl  Cl4  4  0.4296  0.5239  0.7491  1
  Cl  Cl5  2  0.0000  0.0000  0.5000  1
]