data_[Y12Cu4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2873]
_cell_length_b [8.9816]
_cell_length_c [6.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3CuRh3]
_chemical_formula_sum '[Y12 Cu4 Rh12]'
_cell_volume [578.2578]
_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  0.2493  0.2423  0.2458  1
  Y  Y1  4  0.0079  0.0000  0.7485  1
  Cu  Cu2  4  0.0011  0.5000  0.2493  1
  Rh  Rh3  4  0.0000  0.2672  0.5000  1
  Rh  Rh4  4  0.0000  0.2717  0.0000  1
  Rh  Rh5  4  0.2382  0.5000  0.4952  1
]