data_[Y14Ga4Ir4]
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 [Cmmm]
_cell_length_a [7.9806]
_cell_length_b [10.8266]
_cell_length_c [6.9914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y7(GaIr)2]
_chemical_formula_sum '[Y14 Ga4 Ir4]'
_cell_volume [604.0756]
_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  8  0.2500  0.2500  0.2583  1
  Y  Y1  4  0.0000  0.5000  0.2524  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  4  0.1678  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.2896  0.0000  1
]