data_[Y12Sc4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4554]
_cell_length_b [8.6333]
_cell_length_c [7.9491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.8340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3ScRh]
_chemical_formula_sum '[Y12 Sc4 Rh4]'
_cell_volume [567.0866]
_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
[
  Y  Y0  8  0.2393  0.1972  0.2028  1.0
  Y  Y1  4  0.0518  0.5000  0.2655  1.0
  Sc  Sc2  4  0.0509  0.0000  0.3533  1.0
  Rh  Rh3  4  0.2418  0.0000  0.8609  1.0
]