data_[Sc4H12Ir2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1850]
_cell_length_b [4.7580]
_cell_length_c [6.3384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2H6IrRh]
_chemical_formula_sum '[Sc4 H12 Ir2 Rh2]'
_cell_volume [176.9136]
_cell_formula_units_Z [2]
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  2  0.0938  0.7500  0.8353  1
  Sc  Sc1  2  0.3772  0.2500  0.5943  1
  H  H2  4  0.2889  0.0156  0.2561  1
  H  H3  4  0.3789  0.5174  0.8522  1
  H  H4  2  0.0000  0.0000  0.5000  1
  H  H5  2  0.0666  0.2500  0.8968  1
  Ir  Ir6  2  0.1634  0.7500  0.3681  1
  Rh  Rh7  2  0.3677  0.2500  0.0424  1
]