data_[Tm16Al4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8422]
_cell_length_b [12.8204]
_cell_length_c [13.2042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm4AlS2]
_chemical_formula_sum '[Tm16 Al4 S8]'
_cell_volume [650.4243]
_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
[
  Tm  Tm0  8  0.0000  0.2304  0.6201  1
  Tm  Tm1  4  0.0000  0.0699  0.2500  1
  Tm  Tm2  4  0.0000  0.5000  0.0000  1
  Al  Al3  4  0.0000  0.3943  0.2500  1
  S  S4  8  0.0000  0.1357  0.0581  1
]