data_[Y4Tl6Sn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.2905]
_cell_length_b [12.6430]
_cell_length_c [8.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Tl3SnSe6]
_chemical_formula_sum '[Y4 Tl6 Sn2 Se12]'
_cell_volume [707.1598]
_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  0.3335  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1704  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2348  0.1672  0.2052  1.0
  Se  Se5  4  0.2350  0.5000  0.2074  1.0
]