data_[K4Sr32]
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
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.8717]
_cell_length_b [21.8096]
_cell_length_c [10.3515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KSr8]
_chemical_formula_sum '[K4 Sr32]'
_cell_volume [2091.5513]
_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  2  0.0000  0.0063  0.0000  1
  K  K1  2  0.0000  0.2568  0.5000  1
  Sr  Sr2  4  0.0613  0.7342  0.2485  1
  Sr  Sr3  4  0.0615  0.5340  0.7547  1
  Sr  Sr4  4  0.1808  0.1633  0.9269  1
  Sr  Sr5  4  0.1830  0.1018  0.4299  1
  Sr  Sr6  4  0.1891  0.9817  0.7505  1
  Sr  Sr7  4  0.1960  0.2811  0.2560  1
  Sr  Sr8  4  0.2368  0.3524  0.9237  1
  Sr  Sr9  4  0.2475  0.4137  0.5684  1
]