data_[Ba1Ni2H8Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6451]
_cell_length_b [4.6451]
_cell_length_c [6.3303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaNi2H8Rh]
_chemical_formula_sum '[Ba1 Ni2 H8 Rh1]'
_cell_volume [118.2868]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1
  Ni  Ni1  2  0.3333  0.6667  0.0816  1
  H  H2  6  0.1956  0.3911  0.8849  1
  H  H3  2  0.3333  0.6667  0.3427  1
  Rh  Rh4  1  0.0000  0.0000  0.0000  1
]