data_[Y4Hf2Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  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 [7.0471]
_cell_length_b [12.1494]
_cell_length_c [8.2234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Hf(TlSe3)2]
_chemical_formula_sum '[Y4 Hf2 Tl4 Se12]'
_cell_volume [672.7424]
_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
[
  Y  Y0  4  0.0000  0.3323  0.5000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.1702  0.0000  1.0
  Se  Se3  8  0.2273  0.1569  0.7000  1.0
  Se  Se4  4  0.2451  0.0000  0.2998  1.0
]