data_[Ho8Sn2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9776]
_cell_length_b [7.8055]
_cell_length_c [8.3897]
_cell_angle_alpha [116.8168]
_cell_angle_beta [100.3091]
_cell_angle_gamma [96.3973]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho4SnRu2]
_chemical_formula_sum '[Ho8 Sn2 Ru4]'
_cell_volume [335.3786]
_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  1  0.0828  0.4443  0.3473  1.0
  Ho  Ho1  1  0.1924  0.2595  0.8826  1.0
  Ho  Ho2  1  0.2815  0.7535  0.8490  1.0
  Ho  Ho3  1  0.5086  0.1733  0.3006  1.0
  Ho  Ho4  1  0.6035  0.1072  0.6859  1.0
  Ho  Ho5  1  0.7027  0.6667  0.5783  1.0
  Ho  Ho6  1  0.7748  0.5879  0.9682  1.0
  Ho  Ho7  1  0.9973  0.0168  0.4013  1.0
  Sn  Sn8  1  0.4128  0.7256  0.2522  1.0
  Sn  Sn9  1  0.8322  0.0262  0.0109  1.0
  Ru  Ru10  1  0.1964  0.8392  0.5690  1.0
  Ru  Ru11  1  0.3853  0.3884  0.6346  1.0
  Ru  Ru12  1  0.6205  0.3813  0.1331  1.0
  Ru  Ru13  1  0.9092  0.3799  0.6369  1.0
]