data_[Ho12Hg4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4364]
_cell_length_b [15.9843]
_cell_length_c [5.5144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3HgRu]
_chemical_formula_sum '[Ho12 Hg4 Ru4]'
_cell_volume [501.8400]
_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
[
  Ho  Ho0  8  0.1943  0.1129  0.8613  1.0
  Ho  Ho1  4  0.0000  0.3033  0.5000  1.0
  Hg  Hg2  4  0.2443  0.5000  0.5921  1.0
  Ru  Ru3  4  0.0000  0.2508  0.0000  1.0
]