data_[Ho4Tl4Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9633]
_cell_length_b [16.9450]
_cell_length_c [10.7652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HoTlSnS3]
_chemical_formula_sum '[Ho4 Tl4 Sn4 S12]'
_cell_volume [722.9649]
_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
[
  Ho  Ho0  4  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.3061  0.7500  1
  Sn  Sn2  4  0.0000  0.3711  0.2500  1
  S  S3  8  0.0000  0.3903  0.5113  1
  S  S4  4  0.0000  0.0254  0.7500  1
]