data_[Ho20Tl8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.3651]
_cell_length_b [7.4988]
_cell_length_c [7.5356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ho5(TlRu)2]
_chemical_formula_sum '[Ho20 Tl8 Ru8]'
_cell_volume [924.7617]
_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  0.1152  0.1706  0.6686  1.0
  Ho  Ho1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2212  0.0000  0.0000  1.0
  Ru  Ru3  8  0.0000  0.1294  0.3672  1.0
]