data_[Y4B20Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.6976]
_cell_length_b [11.3450]
_cell_length_c [4.1779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Y2B10Ir]
_chemical_formula_sum '[Y4 B20 Ir2]'
_cell_volume [270.0527]
_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  0.2040  0.3656  0.5000  1
  B  B1  8  0.2201  0.1192  0.3013  1
  B  B2  4  0.0560  0.1933  0.0000  1
  B  B3  4  0.1187  0.5425  0.0000  1
  B  B4  4  0.1366  0.6972  0.0000  1
  Ir  Ir5  2  0.0000  0.0000  0.0000  1
]