data_[Er8Re4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5560]
_cell_length_b [4.5560]
_cell_length_c [15.3483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er2ReRu]
_chemical_formula_sum '[Er8 Re4 Ru4]'
_cell_volume [318.5846]
_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  4  0.0000  0.0000  0.3541  1
  Er  Er1  4  0.0000  0.5000  0.0000  1
  Re  Re2  4  0.0000  0.0000  0.1495  1
  Ru  Ru3  4  0.0000  0.5000  0.2500  1
]