data_[Y8Ge8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8322]
_cell_length_b [4.3192]
_cell_length_c [10.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ge2Ru]
_chemical_formula_sum '[Y8 Ge8 Ru4]'
_cell_volume [420.3408]
_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
[
  Y  Y0  4  0.0009  0.0000  0.3279  1.0
  Y  Y1  4  0.1837  0.0000  0.1094  1.0
  Ge  Ge2  4  0.0104  0.5000  0.8752  1.0
  Ge  Ge3  4  0.1466  0.5000  0.5668  1.0
  Ru  Ru4  4  0.2291  0.5000  0.3726  1.0
]