data_[Er14Al4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7141]
_cell_length_b [10.7600]
_cell_length_c [6.9862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er7(AlRu)2]
_chemical_formula_sum '[Er14 Al4 Ru4]'
_cell_volume [579.8794]
_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
[
  Er  Er0  8  0.2500  0.2500  0.2593  1
  Er  Er1  4  0.0000  0.5000  0.2507  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.1684  0.0000  0.5000  1
  Ru  Ru4  4  0.0000  0.2983  0.0000  1
]