data_[Y6Ge8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5862]
_cell_length_b [4.4725]
_cell_length_c [8.1840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(Ge2Ir)2]
_chemical_formula_sum '[Y6 Ge8 Ir4]'
_cell_volume [365.2892]
_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  4  0.1802  0.5000  0.6446  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0465  0.0000  0.3798  1
  Ge  Ge3  4  0.1877  0.5000  0.0269  1
  Ir  Ir4  4  0.0680  0.5000  0.2517  1
]