data_[Rb1Ba2Ni1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P-3m1]
_cell_length_a [5.1766]
_cell_length_b [5.1766]
_cell_length_c [7.6844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [RbBa2NiH8]
_chemical_formula_sum '[Rb1 Ba2 Ni1 H8]'
_cell_volume [178.3291]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Ba  Ba1  2  0.3333  0.6667  0.2074  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  H  H3  6  0.1460  0.2921  0.8879  1.0
  H  H4  2  0.3333  0.6667  0.5628  1.0
]