data_[Lu20Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3963]
_cell_length_b [6.1747]
_cell_length_c [7.1872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu5Ru2]
_chemical_formula_sum '[Lu20 Ru8]'
_cell_volume [677.3387]
_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
[
  Lu  Lu0  8  0.0941  0.3855  0.9166  1.0
  Lu  Lu1  8  0.2167  0.0857  0.3123  1.0
  Lu  Lu2  4  0.0000  0.0805  0.2500  1.0
  Ru  Ru3  8  0.1102  0.2109  0.5777  1.0
]