data_[Er8Re8Ru8]
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 [Amm2]
_cell_length_a [9.0345]
_cell_length_b [5.4097]
_cell_length_c [8.9226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ErReRu]
_chemical_formula_sum '[Er8 Re8 Ru8]'
_cell_volume [436.0842]
_cell_formula_units_Z [8]
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  0.1874  0.0000  0.3328  1.0
  Er  Er1  4  0.3156  0.0000  0.6706  1.0
  Re  Re2  4  0.0000  0.2434  0.5862  1.0
  Re  Re3  2  0.0000  0.0000  0.8303  1.0
  Re  Re4  2  0.5000  0.0000  0.1606  1.0
  Ru  Ru5  4  0.2531  0.0000  0.0079  1.0
  Ru  Ru6  4  0.5000  0.2388  0.4071  1.0
]