data_[Mn8H8Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9974]
_cell_length_b [6.0414]
_cell_length_c [6.0004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnHRh]
_chemical_formula_sum '[Mn8 H8 Rh8]'
_cell_volume [253.6599]
_cell_formula_units_Z [8]
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
[
  Mn  Mn0  8  0.2312  0.4974  0.2505  1.0
  H  H1  4  0.0000  0.0805  0.2500  1.0
  H  H2  4  0.2500  0.2500  0.0000  1.0
  Rh  Rh3  8  0.0064  0.2442  0.5028  1.0
]