data_[Ho2Hg10]
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 [Amm2]
_cell_length_a [5.3981]
_cell_length_b [9.7813]
_cell_length_c [5.5767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HoHg5]
_chemical_formula_sum '[Ho2 Hg10]'
_cell_volume [294.4558]
_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  0.5000  0.0000  0.3377  1.0
  Hg  Hg1  4  0.0000  0.1658  0.4920  1.0
  Hg  Hg2  4  0.5000  0.1689  0.8425  1.0
  Hg  Hg3  2  0.0000  0.0000  0.9931  1.0
]