data_[K2Zn4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6989]
_cell_length_b [3.5812]
_cell_length_c [5.8827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(ZnH3)2]
_chemical_formula_sum '[K2 Zn4 H12]'
_cell_volume [264.0402]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1
  Zn  Zn1  4  0.2460  0.5000  0.6594  1
  H  H2  4  0.0305  0.0000  0.0380  1
  H  H3  4  0.1476  0.5000  0.7416  1
  H  H4  4  0.1972  0.5000  0.3169  1
]