data_[Ho9Tm12Sc3S24]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6746]
_cell_length_b [7.6746]
_cell_length_c [18.8670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho3Tm4ScS8]
_chemical_formula_sum '[Ho9 Tm12 Sc3 S24]'
_cell_volume [962.3877]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Tm  Tm1  9  0.0000  0.5000  0.0000  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  3  -0.0000  -0.0000  0.5000  1.0
  S  S4  18  0.0058  0.5029  0.2499  1.0
  S  S5  6  0.0000  0.0000  0.2513  1.0
]