data_[Ho4Tm2Sc6S12]
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 [C2/m]
_cell_length_a [16.4304]
_cell_length_b [3.7850]
_cell_length_c [7.5800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Tm(ScS2)3]
_chemical_formula_sum '[Ho4 Tm2 Sc6 S12]'
_cell_volume [458.9892]
_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  0.1671  0.0000  0.3341  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  4  0.1674  0.0000  0.8326  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0032  0.0000  0.7455  1.0
  S  S5  4  0.1633  0.5000  0.5908  1.0
  S  S6  4  0.1685  0.5000  0.0749  1.0
]