data_[Y10Ge10Ir4]
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 [15.1210]
_cell_length_b [4.2210]
_cell_length_c [11.0049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.8771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5Ge5Ir2]
_chemical_formula_sum '[Y10 Ge10 Ir4]'
_cell_volume [531.0908]
_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  0.1163  0.5000  0.9211  1
  Y  Y1  4  0.1976  0.5000  0.3254  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  4  0.0591  0.0000  0.3365  1
  Ge  Ge4  4  0.2472  0.0000  0.1968  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
  Ir  Ir6  4  0.1442  0.0000  0.7576  1
]