data_[Y6Tm8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9449]
_cell_length_b [10.9480]
_cell_length_c [7.7326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(TmS2)4]
_chemical_formula_sum '[Y6 Tm8 S16]'
_cell_volume [656.1097]
_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  4  0.2500  0.2500  0.5000  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.2500  0.2500  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm4  2  0.0000  0.0000  0.5000  1.0
  S  S5  4  0.0000  0.2478  0.5000  1.0
  S  S6  4  0.0000  0.2493  0.0000  1.0
  S  S7  4  0.2467  0.0000  0.4981  1.0
  S  S8  4  0.2472  0.0000  0.9955  1.0
]