data_[Hf9Be24Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6318]
_cell_length_b [4.6318]
_cell_length_c [23.1143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf3Be8Rh]
_chemical_formula_sum '[Hf9 Be24 Rh3]'
_cell_volume [429.4584]
_cell_formula_units_Z [3]
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
[
  Hf  Hf0  3  0.0000  0.0000  0.3770  1.0
  Hf  Hf1  3  0.0000  0.0000  0.5035  1.0
  Hf  Hf2  3  0.0000  0.0000  0.9952  1.0
  Be  Be3  9  0.1678  0.3355  0.2683  1.0
  Be  Be4  9  0.1688  0.3375  0.7727  1.0
  Be  Be5  3  0.0000  0.0000  0.1877  1.0
  Be  Be6  3  0.0000  0.0000  0.6865  1.0
  Rh  Rh7  3  0.0000  0.0000  0.8769  1.0
]