data_[K4Si4H4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7155]
_cell_length_b [7.5465]
_cell_length_c [6.8629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSiHSe3]
_chemical_formula_sum '[K4 Si4 H4 Se12]'
_cell_volume [656.8679]
_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  0.1676  0.5000  0.2219  1.0
  Si  Si1  4  0.0610  0.0000  0.8553  1.0
  H  H2  4  0.0000  0.2506  0.5000  1.0
  Se  Se3  8  0.1106  0.2552  0.7459  1.0
  Se  Se4  4  0.1208  0.0000  0.2221  1.0
]