data_[Ho4Ti2Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0269]
_cell_length_b [12.1517]
_cell_length_c [8.1330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Ti(TlSe2)3]
_chemical_formula_sum '[Ho4 Ti2 Tl6 Se12]'
_cell_volume [663.9703]
_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  0.0000  0.3350  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1727  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2216  0.1569  0.1956  1.0
  Se  Se5  4  0.2473  0.0000  0.7964  1.0
]