data_[Er12Cu6Hg3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9449]
_cell_length_b [4.9449]
_cell_length_c [24.1108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er4Cu2HgRu]
_chemical_formula_sum '[Er12 Cu6 Hg3 Ru3]'
_cell_volume [510.5710]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1310  1
  Er  Er1  6  0.0000  0.0000  0.3825  1
  Cu  Cu2  6  0.0000  0.0000  0.2521  1
  Hg  Hg3  3  0.0000  0.0000  0.0000  1
  Ru  Ru4  3  -0.0000  -0.0000  0.5000  1
]