data_[Ho12Sc3Ag3S24]
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 [R3m]
_cell_length_a [7.9715]
_cell_length_b [7.9715]
_cell_length_c [19.1609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho4ScAgS8]
_chemical_formula_sum '[Ho12 Sc3 Ag3 S24]'
_cell_volume [1054.4419]
_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  0.0107  0.5053  0.5013  1.0
  Ho  Ho1  3  0.0000  0.0000  0.3774  1.0
  Sc  Sc2  3  0.0000  0.0000  0.9937  1.0
  Ag  Ag3  3  0.0000  0.0000  0.6225  1.0
  S  S4  9  0.0296  0.5148  0.7498  1.0
  S  S5  9  0.1805  0.3610  0.5846  1.0
  S  S6  3  0.0000  0.0000  0.2424  1.0
  S  S7  3  0.0000  0.0000  0.7571  1.0
]