data_[Er12Ga3Hg6Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1367]
_cell_length_b [5.1367]
_cell_length_c [25.1443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er4GaHg2Au]
_chemical_formula_sum '[Er12 Ga3 Hg6 Au3]'
_cell_volume [574.5764]
_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  0.1256  1.0
  Er  Er1  6  0.0000  0.0000  0.3759  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  6  0.0000  0.0000  0.2515  1.0
  Au  Au4  3  -0.0000  -0.0000  0.5000  1.0
]