data_[Li8Mg4Mo4H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2183]
_cell_length_b [7.2183]
_cell_length_c [7.2183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Li2MgMoH6]
_chemical_formula_sum '[Li8 Mg4 Mo4 H24]'
_cell_volume [376.1037]
_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
[
  Li  Li0  8  0.2500  0.2500  0.2500  1
  Mg  Mg1  4  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.0000  0.0000  0.5000  1
  H  H3  24  0.0000  0.0000  0.2524  1
]