data_[Ho12Si4Hg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2076]
_cell_length_b [4.0889]
_cell_length_c [8.3591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Si2HgSe3]
_chemical_formula_sum '[Ho12 Si4 Hg2 Se6]'
_cell_volume [594.1782]
_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  4  0.0001  0.0000  0.7365  1.0
  Ho  Ho1  4  0.1711  0.5000  0.0904  1.0
  Ho  Ho2  4  0.1721  0.5000  0.5675  1.0
  Si  Si3  4  0.1625  0.0000  0.3227  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1670  0.0000  0.8275  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]