data_[Ho8Sc8Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.4814]
_cell_length_b [3.9694]
_cell_length_c [7.6434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoScTe]
_chemical_formula_sum '[Ho8 Sc8 Te8]'
_cell_volume [638.9399]
_cell_formula_units_Z [8]
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  0.0329  0.5000  0.7381  1
  Ho  Ho1  4  0.1026  0.0000  0.4508  1
  Sc  Sc2  4  0.1863  0.0000  0.0075  1
  Sc  Sc3  4  0.2235  0.5000  0.3510  1
  Te  Te4  4  0.0965  0.5000  0.1302  1
  Te  Te5  4  0.1827  0.5000  0.7165  1
]