data_[Cs8Li4Mg4H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cmc2_1]
_cell_length_a [4.0362]
_cell_length_b [16.0736]
_cell_length_c [11.4657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiMgH5]
_chemical_formula_sum '[Cs8 Li4 Mg4 H20]'
_cell_volume [743.8430]
_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
[
  Cs  Cs0  4  0.0000  0.1014  0.6841  1.0
  Cs  Cs1  4  0.0000  0.1371  0.3344  1.0
  Li  Li2  4  0.0000  0.2074  0.0422  1.0
  Mg  Mg3  4  0.0000  0.3989  0.4539  1.0
  H  H4  4  0.0000  0.0982  0.9797  1.0
  H  H5  4  0.0000  0.3177  0.3389  1.0
  H  H6  4  0.0000  0.3183  0.0229  1.0
  H  H7  4  0.0000  0.3318  0.5991  1.0
  H  H8  4  0.0000  0.4983  0.3688  1.0
]