data_[Sc16Zn4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0910]
_cell_length_b [4.8132]
_cell_length_c [6.3950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Zn2Rh]
_chemical_formula_sum '[Sc16 Zn4 Rh2]'
_cell_volume [464.9172]
_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  0.0230  0.0000  0.7822  1.0
  Sc  Sc1  4  0.0926  0.5000  0.4402  1.0
  Sc  Sc2  4  0.1615  0.5000  0.9624  1.0
  Sc  Sc3  4  0.1955  0.0000  0.2961  1.0
  Zn  Zn4  4  0.1802  0.0000  0.7020  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]