data_[Y10Hg4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.1489]
_cell_length_b [12.1629]
_cell_length_c [4.8921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Y5Hg2Ir]
_chemical_formula_sum '[Y10 Hg4 Ir2]'
_cell_volume [425.3762]
_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  0.1417  0.7925  0.0000  1
  Y  Y1  4  0.1756  0.0847  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  4  0.0821  0.3379  0.5000  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
]