data_[Ho12Hg4Te2Se6]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8423]
_cell_length_b [4.0312]
_cell_length_c [8.6691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Hg2TeSe3]
_chemical_formula_sum '[Ho12 Hg4 Te2 Se6]'
_cell_volume [618.2771]
_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  0.0079  0.0000  0.2734  1.0
  Ho  Ho1  4  0.1564  0.5000  0.6266  1.0
  Ho  Ho2  4  0.1751  0.5000  0.1125  1.0
  Hg  Hg3  4  0.1844  0.0000  0.3863  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1598  0.0000  0.8630  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]