data_[K8Sr8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6883]
_cell_length_b [7.9180]
_cell_length_c [13.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSrCl3]
_chemical_formula_sum '[K8 Sr8 Cl24]'
_cell_volume [1336.9725]
_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
[
  K  K0  8  0.1448  0.1805  0.6346  1.0
  Sr  Sr1  4  0.0000  0.2719  0.2500  1.0
  Sr  Sr2  4  0.2500  0.2500  0.0000  1.0
  Cl  Cl3  8  0.0647  0.2237  0.0619  1.0
  Cl  Cl4  8  0.1498  0.4576  0.8144  1.0
  Cl  Cl5  8  0.1709  0.0458  0.3646  1.0
]