data_[K8Mg4H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1428]
_cell_length_b [12.9993]
_cell_length_c [11.2685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2MgH5]
_chemical_formula_sum '[K8 Mg4 H20]'
_cell_volume [606.8464]
_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  8  0.0000  0.1391  0.5776  1
  Mg  Mg1  4  0.0000  0.1578  0.2500  1
  H  H2  8  0.0000  0.0503  0.1345  1
  H  H3  8  0.0000  0.2550  0.1220  1
  H  H4  4  0.0000  0.3100  0.7500  1
]