data_[Cs4Ba2Sr2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.1251]
_cell_length_b [10.0581]
_cell_length_c [7.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2BaSrH6]
_chemical_formula_sum '[Cs4 Ba2 Sr2 H12]'
_cell_volume [515.3927]
_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
[
  Cs  Cs0  4  0.0000  0.2524  0.2339  1.0
  Ba  Ba1  2  0.0000  0.5000  0.7402  1.0
  Sr  Sr2  2  0.0000  0.0000  0.7572  1.0
  H  H3  4  0.0000  0.2421  0.7773  1.0
  H  H4  4  0.2405  0.0000  0.0009  1.0
  H  H5  4  0.2451  0.0000  0.5204  1.0
]