data_[Ho20Te8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6818]
_cell_length_b [7.7239]
_cell_length_c [7.6787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ho5(TeRu)2]
_chemical_formula_sum '[Ho20 Te8 Ru8]'
_cell_volume [930.0752]
_cell_formula_units_Z [4]
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  16  0.1160  0.1616  0.3406  1
  Ho  Ho1  4  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.2109  0.0000  0.0000  1
  Ru  Ru3  8  0.0000  0.1368  0.6348  1
]