data_[Ba12H2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4496]
_cell_length_b [4.4661]
_cell_length_c [10.8179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6HRh2]
_chemical_formula_sum '[Ba12 H2 Rh4]'
_cell_volume [787.7898]
_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
[
  Ba  Ba0  4  0.0552  0.0000  0.7697  1.0
  Ba  Ba1  4  0.1377  0.5000  0.4882  1.0
  Ba  Ba2  4  0.2069  0.0000  0.1598  1.0
  H  H3  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.2129  0.0000  0.6837  1.0
]