data_[Er24Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [11.5371]
_cell_length_b [11.5371]
_cell_length_c [6.0350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Er3Ru]
_chemical_formula_sum '[Er24 Ru8]'
_cell_volume [803.2892]
_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  8  0.0000  0.3579  0.0000  1.0
  Er  Er1  8  0.0959  0.0959  0.7403  1.0
  Er  Er2  8  0.2026  0.2026  0.2957  1.0
  Ru  Ru3  8  0.0000  0.2881  0.5000  1.0
]