data_[Cs6K2H2]
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 [Pmma]
_cell_length_a [10.3375]
_cell_length_b [4.9376]
_cell_length_c [13.4069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Cs3KH]
_chemical_formula_sum '[Cs6 K2 H2]'
_cell_volume [684.3241]
_cell_formula_units_Z [2]
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  4  0.0327  0.0000  0.2723  1
  Cs  Cs1  2  0.2500  0.5000  0.0162  1
  K  K2  2  0.2500  0.5000  0.4908  1
  H  H3  2  0.2500  0.5000  0.2726  1
]