data_[Cs1Rb3Mg2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-3m1]
_cell_length_a [6.3307]
_cell_length_b [6.3307]
_cell_length_c [9.4043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CsRb3(MgH4)2]
_chemical_formula_sum '[Cs1 Rb3 Mg2 H8]'
_cell_volume [326.4109]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Rb  Rb1  2  0.3333  0.6667  0.7322  1
  Rb  Rb2  1  0.0000  0.0000  0.0000  1
  Mg  Mg3  2  0.3333  0.6667  0.1987  1
  H  H4  6  0.1752  0.3505  0.2677  1
  H  H5  2  0.3333  0.6667  0.0051  1
]