data_[Y2Tl2Si2Se8]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7111]
_cell_length_b [6.9377]
_cell_length_c [9.0267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YTlSiSe4]
_chemical_formula_sum '[Y2 Tl2 Si2 Se8]'
_cell_volume [400.8959]
_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  2  0.2327  0.2500  0.5536  1.0
  Tl  Tl1  2  0.2448  0.2500  0.0636  1.0
  Si  Si2  2  0.2237  0.7500  0.3257  1.0
  Se  Se3  4  0.0052  0.5052  0.7139  1.0
  Se  Se4  2  0.4206  0.7500  0.1612  1.0
  Se  Se5  2  0.4251  0.7500  0.5793  1.0
]