data_[Ho6Tm4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5635]
_cell_length_b [7.8363]
_cell_length_c [6.6371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3(TmS4)2]
_chemical_formula_sum '[Ho6 Tm4 S16]'
_cell_volume [662.3567]
_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  0.2628  0.0000  1
  Ho  Ho1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  4  0.2386  0.5000  0.6583  1
  S  S3  8  0.1253  0.2352  0.4151  1
  S  S4  4  0.1180  0.0000  0.9299  1
  S  S5  4  0.1185  0.5000  0.9030  1
]