data_[Er16Ru2Rh4]
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 [C2/m]
_cell_length_a [17.0137]
_cell_length_b [4.9243]
_cell_length_c [6.7301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8RuRh2]
_chemical_formula_sum '[Er16 Ru2 Rh4]'
_cell_volume [538.2026]
_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  4  0.0319  0.0000  0.7929  1
  Er  Er1  4  0.0935  0.5000  0.4454  1
  Er  Er2  4  0.1669  0.5000  0.9661  1
  Er  Er3  4  0.2013  0.0000  0.3117  1
  Ru  Ru4  2  0.0000  0.5000  0.0000  1
  Rh  Rh5  4  0.1876  0.0000  0.7034  1
]