data_[Cs2Ba2Ni2H8]
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
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6862]
_cell_length_b [5.9264]
_cell_length_c [8.6289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaNiH4]
_chemical_formula_sum '[Cs2 Ba2 Ni2 H8]'
_cell_volume [280.7141]
_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  2  0.2091  0.2500  0.9222  1.0
  Ba  Ba1  2  0.2843  0.7500  0.5517  1.0
  Ni  Ni2  2  0.1542  0.2500  0.3199  1.0
  H  H3  4  0.2374  0.0004  0.2899  1.0
  H  H4  2  0.0879  0.7500  0.8265  1.0
  H  H5  2  0.2644  0.2500  0.5122  1.0
]