data_[K4Sr4Si16]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.9204]
_cell_length_b [13.2378]
_cell_length_c [5.1610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [KSrSi4]
_chemical_formula_sum '[K4 Sr4 Si16]'
_cell_volume [609.4523]
_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  0.1859  0.0000  0.0000  1
  Sr  Sr1  4  0.0000  0.2801  0.0000  1
  Si  Si2  8  0.2457  0.1588  0.5000  1
  Si  Si3  4  0.0000  0.0912  0.5000  1
  Si  Si4  4  0.1268  0.5000  0.5000  1
]