data_[Er24Hg4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.2600]
_cell_length_b [9.4730]
_cell_length_c [10.3499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er6HgIr2]
_chemical_formula_sum '[Er24 Hg4 Ir8]'
_cell_volume [907.8876]
_cell_formula_units_Z [4]
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
[
  Er  Er0  8  0.0000  0.2017  0.2403  1
  Er  Er1  8  0.1923  0.5000  0.1683  1
  Er  Er2  8  0.2157  0.3193  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Ir  Ir5  4  0.0000  0.3337  0.0000  1
  Ir  Ir6  4  0.0000  0.5000  0.3683  1
]