data_[Ho16Ag24Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.7928]
_cell_length_b [9.7098]
_cell_length_c [16.5437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ho2Ag3Hg]
_chemical_formula_sum '[Ho16 Ag24 Hg8]'
_cell_volume [1091.1739]
_cell_formula_units_Z [8]
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  8  0.2481  0.0000  0.0000  1.0
  Ho  Ho1  8  0.2500  0.2500  0.2500  1.0
  Ag  Ag2  16  0.0000  0.2477  0.0826  1.0
  Ag  Ag3  8  0.0000  0.0000  0.1647  1.0
  Hg  Hg4  8  0.0000  0.0000  0.3334  1.0
]