data_[Li4Mg2H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [4.9236]
_cell_length_b [9.3005]
_cell_length_c [2.9249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Li2MgH4]
_chemical_formula_sum '[Li4 Mg2 H8]'
_cell_volume [133.9395]
_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
[
  Li  Li0  4  0.0176  0.7105  0.5000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.2060  0.9129  0.5000  1.0
  H  H3  4  0.2179  0.1770  0.0000  1.0
]