data_[Er8Si4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1256]
_cell_length_b [5.4371]
_cell_length_c [7.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er2SiRu2]
_chemical_formula_sum '[Er8 Si4 Ru8]'
_cell_volume [389.4859]
_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  0.1422  0.3579  0.1424  1.0
  Si  Si1  4  0.0000  0.0983  0.7500  1.0
  Ru  Ru2  8  0.1333  0.1437  0.5131  1.0
]