data_[Y6Ir2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8639]
_cell_length_b [4.8639]
_cell_length_c [11.8865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Y3IrRh2]
_chemical_formula_sum '[Y6 Ir2 Rh4]'
_cell_volume [243.5305]
_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  2  0.0000  0.0000  0.2510  1
  Y  Y1  2  0.3333  0.6667  0.4168  1
  Y  Y2  2  0.3333  0.6667  0.9156  1
  Ir  Ir3  2  0.3333  0.6667  0.6665  1
  Rh  Rh4  2  0.3333  0.6667  0.1650  1
  Rh  Rh5  1  0.0000  0.0000  0.0000  1
  Rh  Rh6  1  0.0000  0.0000  0.5000  1
]