data_[Y9Ga3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3418]
_cell_length_b [5.3418]
_cell_length_c [26.0905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3GaIr8]
_chemical_formula_sum '[Y9 Ga3 Ir24]'
_cell_volume [644.7543]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3761  1
  Y  Y1  3  0.0000  0.0000  0.5050  1
  Y  Y2  3  0.0000  0.0000  0.9927  1
  Ga  Ga3  3  0.0000  0.0000  0.8659  1
  Ir  Ir4  9  0.1667  0.3335  0.2718  1
  Ir  Ir5  9  0.1667  0.3335  0.7721  1
  Ir  Ir6  3  0.0000  0.0000  0.1896  1
  Ir  Ir7  3  0.0000  0.0000  0.6891  1
]