data_[Ho2Tl6Sn4Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2549]
_cell_length_b [12.5779]
_cell_length_c [8.0931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoTl3(SnSe3)2]
_chemical_formula_sum '[Ho2 Tl6 Sn4 Se12]'
_cell_volume [704.5607]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1659  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  4  0.0000  0.3331  0.0000  1.0
  Se  Se4  8  0.2349  0.8345  0.2059  1.0
  Se  Se5  4  0.2357  0.5000  0.2034  1.0
]