data_[Cs12K3H15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3997]
_cell_length_b [4.3997]
_cell_length_c [54.2513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4KH5]
_chemical_formula_sum '[Cs12 K3 H15]'
_cell_volume [909.4644]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.1034  1
  Cs  Cs1  6  0.0000  0.0000  0.2988  1
  K  K2  3  -0.0000  -0.0000  0.5000  1
  H  H3  6  0.0000  0.0000  0.1951  1
  H  H4  6  0.0000  0.0000  0.4022  1
  H  H5  3  0.0000  0.0000  0.0000  1
]