data_[Y2Tl2Si2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4440]
_cell_length_b [6.5997]
_cell_length_c [8.7918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YTlSiS4]
_chemical_formula_sum '[Y2 Tl2 Si2 S8]'
_cell_volume [357.2414]
_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  0.2298  0.2500  0.5518  1.0
  Tl  Tl1  2  0.2610  0.2500  0.0692  1.0
  Si  Si2  2  0.2247  0.7500  0.3287  1.0
  S  S3  4  0.0041  0.0011  0.2920  1.0
  S  S4  2  0.4206  0.7500  0.1734  1.0
  S  S5  2  0.4208  0.7500  0.5711  1.0
]