data_[Ho4Tl6Pb2Se12]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5032]
_cell_length_b [4.2061]
_cell_length_c [9.0124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Tl3PbSe6]
_chemical_formula_sum '[Ho4 Tl6 Pb2 Se12]'
_cell_volume [707.3979]
_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  0.1694  0.0000  0.3353  1
  Tl  Tl1  4  0.1654  0.0000  0.8336  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Pb  Pb3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0151  0.0000  0.2526  1
  Se  Se5  4  0.1649  0.5000  0.1167  1
  Se  Se6  4  0.1760  0.5000  0.5584  1
]