data_[Y16Tm4S24]
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 [Cmcm]
_cell_length_a [3.8119]
_cell_length_b [12.8855]
_cell_length_c [19.8298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y4TmS6]
_chemical_formula_sum '[Y16 Tm4 S24]'
_cell_volume [973.9897]
_cell_formula_units_Z [4]
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  8  0.0000  0.1393  0.0401  1
  Y  Y1  8  0.0000  0.4091  0.1285  1
  Tm  Tm2  4  0.0000  0.3487  0.7500  1
  S  S3  8  0.0000  0.0529  0.1684  1
  S  S4  8  0.0000  0.2295  0.5891  1
  S  S5  4  0.0000  0.3024  0.2500  1
  S  S6  4  0.0000  0.5000  0.0000  1
]