data_[Ba12H4Rh4]
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 [Cmcm]
_cell_length_a [6.0736]
_cell_length_b [18.6731]
_cell_length_c [6.1732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3HRh]
_chemical_formula_sum '[Ba12 H4 Rh4]'
_cell_volume [700.1191]
_cell_formula_units_Z [4]
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  0.0000  0.0792  0.7500  1.0
  Ba  Ba1  4  0.0000  0.2571  0.2500  1.0
  Ba  Ba2  4  0.0000  0.4216  0.7500  1.0
  H  H3  4  0.0000  0.4254  0.2500  1.0
  Rh  Rh4  4  0.0000  0.0983  0.2500  1.0
]