data_[Y8Be4Ga4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.7650]
_cell_length_b [13.5105]
_cell_length_c [5.7467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2BeGaIr2]
_chemical_formula_sum '[Y8 Be4 Ga4 Ir8]'
_cell_volume [447.5995]
_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  0.2359  0.1711  0.0000  1.0
  Be  Be1  4  0.0000  0.5000  0.2500  1.0
  Ga  Ga2  4  0.0000  0.0000  0.2500  1.0
  Ir  Ir3  8  0.2171  0.3948  0.0000  1.0
]