data_[Y16Rh2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5571]
_cell_length_b [5.1453]
_cell_length_c [6.8135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8RhAu2]
_chemical_formula_sum '[Y16 Rh2 Au4]'
_cell_volume [593.3059]
_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
[
  Y  Y0  4  0.0301  0.0000  0.7877  1
  Y  Y1  4  0.0890  0.5000  0.4383  1
  Y  Y2  4  0.1606  0.5000  0.9696  1
  Y  Y3  4  0.2025  0.0000  0.3169  1
  Rh  Rh4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.1878  0.0000  0.7266  1
]