data_[Y6Ga9Ni36Ir3]
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
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9927]
_cell_length_b [5.9927]
_cell_length_c [26.0885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y2Ga3Ni12Ir]
_chemical_formula_sum '[Y6 Ga9 Ni36 Ir3]'
_cell_volume [811.3767]
_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  6  0.0000  0.0000  0.3517  1
  Ga  Ga1  9  0.0000  0.5000  0.5000  1
  Ni  Ni2  18  0.0337  0.5169  0.5968  1
  Ni  Ni3  18  0.0717  0.5358  0.1188  1
  Ir  Ir4  3  0.0000  0.0000  0.0000  1
]