data_[Ca8H24Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.2360]
_cell_length_b [10.9555]
_cell_length_c [5.0767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [CaH3Rh]
_chemical_formula_sum '[Ca8 H24 Rh8]'
_cell_volume [402.4496]
_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
[
  Ca  Ca0  8  0.2500  0.1504  0.2500  1
  H  H1  8  0.0000  0.0669  0.1054  1
  H  H2  8  0.0000  0.2074  0.5615  1
  H  H3  8  0.2500  0.0875  0.7500  1
  Rh  Rh4  8  0.0000  0.0814  0.7541  1
]