data_[Er8Ge20Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.8330]
_cell_length_b [12.4580]
_cell_length_c [5.7511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Er2Ge5Ru3]
_chemical_formula_sum '[Er8 Ge20 Ru12]'
_cell_volume [704.5090]
_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
[
  Er  Er0  8  0.2317  0.3622  0.5000  1.0
  Ge  Ge1  8  0.0000  0.2079  0.2500  1.0
  Ge  Ge2  8  0.1749  0.0887  0.5000  1.0
  Ge  Ge3  4  0.0000  0.5000  0.2500  1.0
  Ru  Ru4  8  0.0926  0.3527  0.0000  1.0
  Ru  Ru5  4  0.0000  0.0000  0.2500  1.0
]