data_[K4Sr4Zn4I20]
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
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5646]
_cell_length_b [13.6452]
_cell_length_c [11.6228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSrZnI5]
_chemical_formula_sum '[K4 Sr4 Zn4 I20]'
_cell_volume [1522.7909]
_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
[
  K  K0  4  0.0000  0.3548  0.7500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.3185  0.2500  1.0
  I  I3  8  0.1305  0.2133  0.1411  1.0
  I  I4  8  0.1700  0.4345  0.4350  1.0
  I  I5  4  0.0000  0.1001  0.7500  1.0
]