data_[Ho2In6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.1439]
_cell_length_b [3.8509]
_cell_length_c [13.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(InHg2)3]
_chemical_formula_sum '[Ho2 In6 Hg12]'
_cell_volume [532.5056]
_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  0.3793  0.7500  0.3617  1.0
  In  In1  2  0.0997  0.7500  0.5799  1.0
  In  In2  2  0.1068  0.7500  0.9718  1.0
  In  In3  2  0.4492  0.2500  0.8013  1.0
  Hg  Hg4  2  0.0910  0.7500  0.2175  1.0
  Hg  Hg5  2  0.1740  0.2500  0.7764  1.0
  Hg  Hg6  2  0.1856  0.2500  0.4211  1.0
  Hg  Hg7  2  0.3022  0.2500  0.1536  1.0
  Hg  Hg8  2  0.3735  0.7500  0.9637  1.0
  Hg  Hg9  2  0.3846  0.7500  0.5950  1.0
]