data_[Y6Ge14Ru4]
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 [Cmmm]
_cell_length_a [4.3073]
_cell_length_b [25.7210]
_cell_length_c [4.2708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y3Ge7Ru2]
_chemical_formula_sum '[Y6 Ge14 Ru4]'
_cell_volume [473.1573]
_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  4  0.0000  0.1829  0.0000  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  4  0.0000  0.0857  0.5000  1.0
  Ge  Ge3  4  0.0000  0.2788  0.5000  1.0
  Ge  Ge4  4  0.0000  0.4157  0.0000  1.0
  Ge  Ge5  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru6  4  0.0000  0.3724  0.5000  1.0
]