data_[Sc4Fe2B4Ru8Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3320]
_cell_length_b [9.3320]
_cell_length_c [3.0295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2FeB2Ru4Rh]
_chemical_formula_sum '[Sc4 Fe2 B4 Ru8 Rh2]'
_cell_volume [263.8240]
_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  4  0.1761  0.6761  0.0000  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.1271  0.3729  0.0000  1.0
  Ru  Ru3  8  0.0705  0.2137  0.5000  1.0
  Rh  Rh4  2  0.0000  0.5000  0.5000  1.0
]