data_[Er12In3Ag3Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2025]
_cell_length_b [5.2025]
_cell_length_c [25.5480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er4InAgHg2]
_chemical_formula_sum '[Er12 In3 Ag3 Hg6]'
_cell_volume [598.8490]
_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  0.1273  1
  Er  Er1  6  0.0000  0.0000  0.3778  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Ag  Ag3  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg4  6  0.0000  0.0000  0.2500  1
]