data_[Y4Ge2Ru2]
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 [P2_1/m]
_cell_length_a [6.0227]
_cell_length_b [3.6764]
_cell_length_c [8.4361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y2GeRu]
_chemical_formula_sum '[Y4 Ge2 Ru2]'
_cell_volume [178.3089]
_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
[
  Y  Y0  2  0.2025  0.2500  0.4184  1.0
  Y  Y1  2  0.2721  0.7500  0.0568  1.0
  Ge  Ge2  2  0.3674  0.7500  0.7169  1.0
  Ru  Ru3  2  0.1162  0.2500  0.7836  1.0
]