data_[Ho4Al2Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7680]
_cell_length_b [11.6727]
_cell_length_c [7.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Al(TlS2)3]
_chemical_formula_sum '[Ho4 Al2 Tl6 S12]'
_cell_volume [593.3736]
_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
[
  Ho  Ho0  4  0.0000  0.3338  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1719  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2140  0.1520  0.1848  1.0
  S  S5  4  0.2437  0.0000  0.8054  1.0
]