data_[Yb1Er1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.5809]
_cell_length_b [6.5809]
_cell_length_c [5.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [YbErHg6]
_chemical_formula_sum '[Yb1 Er1 Hg6]'
_cell_volume [188.9933]
_cell_formula_units_Z [1]
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
[
  Yb  Yb0  1  0.3333  0.6667  0.0000  1
  Er  Er1  1  0.0000  0.0000  0.5000  1
  Hg  Hg2  3  0.3335  0.1667  0.0000  1
  Hg  Hg3  3  0.5001  0.0003  0.5000  1
]