data_[Hf2Tl4Ag4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4362]
_cell_length_b [4.0471]
_cell_length_c [8.0232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTl2(AgSe2)2]
_chemical_formula_sum '[Hf2 Tl4 Ag4 Se8]'
_cell_volume [466.5858]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1413  0.0000  0.5846  1.0
  Ag  Ag2  4  0.1793  0.5000  0.9673  1.0
  Se  Se3  4  0.0023  0.5000  0.7697  1.0
  Se  Se4  4  0.1875  0.0000  0.1996  1.0
]