data_[Ho4Tl6Sn2Se12]
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 [19.6329]
_cell_length_b [4.1333]
_cell_length_c [9.1059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Tl3SnSe6]
_chemical_formula_sum '[Ho4 Tl6 Sn2 Se12]'
_cell_volume [698.6917]
_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  0.1676  0.0000  0.3355  1.0
  Tl  Tl1  4  0.1678  0.0000  0.8364  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0108  0.0000  0.2306  1.0
  Se  Se5  4  0.1581  0.5000  0.1127  1.0
  Se  Se6  4  0.1773  0.5000  0.5602  1.0
]