data_[Ho13Hg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6157]
_cell_length_b [8.5204]
_cell_length_c [8.7739]
_cell_angle_alpha [66.7002]
_cell_angle_beta [79.3405]
_cell_angle_gamma [81.9363]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho13Hg2]
_chemical_formula_sum '[Ho13 Hg2]'
_cell_volume [445.1588]
_cell_formula_units_Z [1]
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  0.1207  0.4771  0.7342  1.0
  Ho  Ho1  2  0.2038  0.2317  0.1493  1.0
  Ho  Ho2  2  0.2491  0.9409  0.5794  1.0
  Ho  Ho3  2  0.3016  0.6527  0.9720  1.0
  Ho  Ho4  2  0.3687  0.4097  0.3887  1.0
  Ho  Ho5  2  0.4994  0.1454  0.7955  1.0
  Ho  Ho6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.0587  0.7722  0.3796  1.0
]