data_[Sc4P8Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.0701]
_cell_length_b [4.0949]
_cell_length_c [5.7659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc(PRh2)2]
_chemical_formula_sum '[Sc4 P8 Rh16]'
_cell_volume [403.0373]
_cell_formula_units_Z [4]
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  0.1299  0.7500  0.5437  1
  P  P1  4  0.0423  0.2500  0.7591  1
  P  P2  4  0.2032  0.7500  0.1209  1
  Rh  Rh3  4  0.0327  0.2500  0.3561  1
  Rh  Rh4  4  0.0735  0.7500  0.0219  1
  Rh  Rh5  4  0.1771  0.2500  0.8510  1
  Rh  Rh6  4  0.2096  0.2500  0.3219  1
]