data_[Ho2Sn6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2935]
_cell_length_b [3.8606]
_cell_length_c [12.2576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(SnS2)3]
_chemical_formula_sum '[Ho2 Sn6 S12]'
_cell_volume [488.3450]
_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  2  0.2877  0.2500  0.9404  1.0
  Sn  Sn1  2  0.1171  0.7500  0.1558  1.0
  Sn  Sn2  2  0.1552  0.2500  0.5234  1.0
  Sn  Sn3  2  0.4615  0.7500  0.7408  1.0
  S  S4  2  0.0956  0.7500  0.9293  1.0
  S  S5  2  0.1076  0.7500  0.3683  1.0
  S  S6  2  0.2507  0.7500  0.7645  1.0
  S  S7  2  0.2852  0.2500  0.1786  1.0
  S  S8  2  0.4140  0.2500  0.5883  1.0
  S  S9  2  0.4737  0.7500  0.0868  1.0
]