data_[Sc3Ni3H18Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [4.6147]
_cell_length_b [4.6147]
_cell_length_c [12.7836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ScNi(H3Rh)2]
_chemical_formula_sum '[Sc3 Ni3 H18 Rh6]'
_cell_volume [235.7563]
_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
[
  Sc  Sc0  3  0.0000  0.0000  0.4571  1.0
  Ni  Ni1  3  0.0000  0.0000  0.0212  1.0
  H  H2  9  0.0572  0.7019  0.6012  1.0
  H  H3  9  0.1550  0.3400  0.7750  1.0
  Rh  Rh4  3  0.0000  0.0000  0.2393  1.0
  Rh  Rh5  3  0.0000  0.0000  0.6807  1.0
]