data_[Sc6Si6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5892]
_cell_length_b [3.9303]
_cell_length_c [11.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScSiRh]
_chemical_formula_sum '[Sc6 Si6 Rh6]'
_cell_volume [292.4982]
_cell_formula_units_Z [6]
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  0.0005  0.2500  0.2954  1.0
  Sc  Sc1  2  0.3333  0.7500  0.9218  1.0
  Sc  Sc2  2  0.4847  0.7500  0.6291  1.0
  Si  Si3  2  0.2139  0.7500  0.4215  1.0
  Si  Si4  2  0.2227  0.2500  0.0942  1.0
  Si  Si5  2  0.2828  0.2500  0.7486  1.0
  Rh  Rh6  2  0.0301  0.2500  0.9093  1.0
  Rh  Rh7  2  0.1584  0.2500  0.5374  1.0
  Rh  Rh8  2  0.3481  0.7500  0.2057  1.0
]