data_[Ho6Hg10]
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 [5.0868]
_cell_length_b [7.3409]
_cell_length_c [10.4183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ho3Hg5]
_chemical_formula_sum '[Ho6 Hg10]'
_cell_volume [389.0348]
_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  0.0000  0.3363  1
  Ho  Ho1  2  0.0000  0.0000  0.8934  1
  Ho  Ho2  2  0.5000  0.0000  0.6361  1
  Hg  Hg3  4  0.0000  0.2215  0.6120  1
  Hg  Hg4  4  0.5000  0.2473  0.3880  1
  Hg  Hg5  2  0.5000  0.0000  0.1342  1
]