data_[Ho4Tl6Ge2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3708]
_cell_length_b [4.1124]
_cell_length_c [8.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Tl3GeSe6]
_chemical_formula_sum '[Ho4 Tl6 Ge2 Se12]'
_cell_volume [675.8491]
_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  0.1653  0.0000  0.3339  1
  Tl  Tl1  4  0.1682  0.0000  0.8407  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0080  0.0000  0.2201  1
  Se  Se5  4  0.1530  0.5000  0.1073  1
  Se  Se6  4  0.1771  0.5000  0.5625  1
]