data_[Ho6Sc2Ag8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9139]
_cell_length_b [7.9831]
_cell_length_c [9.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3Sc(AgS2)4]
_chemical_formula_sum '[Ho6 Sc2 Ag8 S16]'
_cell_volume [832.5912]
_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  0.2500  0.2500  0.5000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
  S  S6  8  0.1488  0.2596  0.6856  1.0
  S  S7  4  0.0918  0.5000  0.3134  1.0
  S  S8  4  0.0968  0.0000  0.3117  1.0
]