data_[Y6Tl2H2S2]
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
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2340]
_cell_length_b [4.0067]
_cell_length_c [8.6338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3TlHS]
_chemical_formula_sum '[Y6 Tl2 H2 S2]'
_cell_volume [279.2824]
_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  0.1163  0.2500  0.8715  1.0
  Y  Y1  2  0.1819  0.7500  0.5373  1.0
  Y  Y2  2  0.4332  0.7500  0.1736  1.0
  Tl  Tl3  2  0.1745  0.2500  0.2529  1.0
  H  H4  2  0.0834  0.2500  0.6015  1.0
  S  S5  2  0.3429  0.7500  0.8495  1.0
]