data_[Li2Ho8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8029]
_cell_length_b [6.8704]
_cell_length_c [7.7609]
_cell_angle_alpha [88.5093]
_cell_angle_beta [65.6537]
_cell_angle_gamma [87.5050]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li(Ho2Ru)2]
_chemical_formula_sum '[Li2 Ho8 Ru4]'
_cell_volume [330.1511]
_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
[
  Li  Li0  1  0.4984  0.8698  0.1021  1
  Li  Li1  1  0.9693  0.8735  0.1514  1
  Ho  Ho2  1  0.0835  0.2084  0.3444  1
  Ho  Ho3  1  0.1135  0.6765  0.4329  1
  Ho  Ho4  1  0.3606  0.6194  0.8621  1
  Ho  Ho5  1  0.3811  0.1421  0.8632  1
  Ho  Ho6  1  0.5575  0.1133  0.3972  1
  Ho  Ho7  1  0.6288  0.5884  0.3830  1
  Ho  Ho8  1  0.8441  0.5717  0.8877  1
  Ho  Ho9  1  0.8985  0.0946  0.8187  1
  Ru  Ru10  1  0.2338  0.3743  0.6182  1
  Ru  Ru11  1  0.4818  0.3778  0.1252  1
  Ru  Ru12  1  0.7211  0.8688  0.6311  1
  Ru  Ru13  1  0.7277  0.3714  0.6325  1
]