data_[Ho2Er4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9303]
_cell_length_b [4.8979]
_cell_length_c [7.2161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho(ErHg4)2]
_chemical_formula_sum '[Ho2 Er4 Hg16]'
_cell_volume [532.2650]
_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  0.0000  0.5000  0.0000  1
  Er  Er1  4  0.2166  0.0000  0.6560  1
  Hg  Hg2  4  0.0314  0.0000  0.7312  1
  Hg  Hg3  4  0.0978  0.5000  0.4558  1
  Hg  Hg4  4  0.1490  0.0000  0.1867  1
  Hg  Hg5  4  0.1731  0.5000  0.9029  1
]