data_[Y24Tl9P3S9]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7548]
_cell_length_b [7.7548]
_cell_length_c [23.2016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8Tl3PS3]
_chemical_formula_sum '[Y24 Tl9 P3 S9]'
_cell_volume [1208.3337]
_cell_formula_units_Z [3]
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  18  0.0011  0.5005  0.2352  1.0
  Y  Y1  6  0.0000  0.0000  0.2348  1.0
  Tl  Tl2  9  0.0000  0.5000  0.0000  1.0
  P  P3  3  -0.0000  -0.0000  0.5000  1.0
  S  S4  9  0.0000  0.5000  0.5000  1.0
]