data_[Er20Hg8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.9325]
_cell_length_b [7.3445]
_cell_length_c [7.5077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(HgRu)2]
_chemical_formula_sum '[Er20 Hg8 Ru8]'
_cell_volume [878.5187]
_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  16  0.1212  0.1739  0.3254  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.2176  0.0000  0.0000  1
  Ru  Ru3  8  0.0000  0.1246  0.6287  1
]