data_[Ho6Hg2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5879]
_cell_length_b [6.0346]
_cell_length_c [8.7059]
_cell_angle_alpha [101.4020]
_cell_angle_beta [100.0902]
_cell_angle_gamma [113.7948]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho3HgIr]
_chemical_formula_sum '[Ho6 Hg2 Ir2]'
_cell_volume [252.4539]
_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
[
  Ho  Ho0  2  0.1999  0.7001  0.8960  1.0
  Ho  Ho1  2  0.2078  0.0649  0.2743  1.0
  Ho  Ho2  2  0.4422  0.3104  0.7192  1.0
  Hg  Hg3  2  0.1872  0.7472  0.5144  1.0
  Ir  Ir4  2  0.2521  0.2536  0.0015  1.0
]