data_[K12Mg6Be6H36]
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
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4810]
_cell_length_b [5.4810]
_cell_length_c [26.8377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2MgBeH6]
_chemical_formula_sum '[K12 Mg6 Be6 H36]'
_cell_volume [698.2253]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1239  1
  K  K1  6  0.0000  0.0000  0.2882  1
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1
  Mg  Mg3  3  0.0000  0.0000  0.0000  1
  Be  Be4  6  0.0000  0.0000  0.4104  1
  H  H5  18  0.0276  0.5138  0.2906  1
  H  H6  18  0.0501  0.5250  0.1163  1
]