data_[Y2Tl10S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5124]
_cell_length_b [4.0944]
_cell_length_c [8.5275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTl5S4]
_chemical_formula_sum '[Y2 Tl10 S8]'
_cell_volume [613.6935]
_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  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  4  0.1571  0.0000  0.8077  1.0
  Tl  Tl2  4  0.1836  0.0000  0.3065  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0209  0.0000  0.2302  1.0
  S  S5  4  0.1557  0.5000  0.0451  1.0
]