data_[Y6Er8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5510]
_cell_length_b [8.8411]
_cell_length_c [16.0178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3(ErRu)4]
_chemical_formula_sum '[Y6 Er8 Ru8]'
_cell_volume [502.8821]
_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  0.0000  0.0987  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  8  0.0000  0.1900  0.3350  1.0
  Ru  Ru3  4  0.0000  0.2769  0.5000  1.0
  Ru  Ru4  4  0.0000  0.5000  0.2554  1.0
]