data_[Er16Ru4Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.9999]
_cell_length_b [8.9999]
_cell_length_c [8.2474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Er4RuRh]
_chemical_formula_sum '[Er16 Ru4 Rh4]'
_cell_volume [668.0183]
_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  8  0.0000  0.1987  0.7536  1
  Er  Er1  8  0.0000  0.2013  0.2466  1
  Ru  Ru2  4  0.0000  0.0000  0.0000  1
  Rh  Rh3  4  0.0000  0.0000  0.4996  1
]