data_[K9Rb12Mg3H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9454]
_cell_length_b [7.9454]
_cell_length_c [19.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Rb4MgH8]
_chemical_formula_sum '[K9 Rb12 Mg3 H24]'
_cell_volume [1079.1751]
_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
[
  K  K0  9  0.0000  0.5000  0.0000  1
  Rb  Rb1  9  0.0000  0.5000  0.5000  1
  Rb  Rb2  3  -0.0000  -0.0000  0.5000  1
  Mg  Mg3  3  -0.0000  -0.0000  0.0000  1
  H  H4  18  0.0755  0.5378  0.7285  1
  H  H5  6  0.0000  0.0000  0.2565  1
]