data_[Er6Pu3Mg3Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1406]
_cell_length_b [5.1406]
_cell_length_c [25.8671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2PuMgHg4]
_chemical_formula_sum '[Er6 Pu3 Mg3 Hg12]'
_cell_volume [591.9688]
_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  0.2467  1
  Pu  Pu1  3  0.0000  0.0000  0.0000  1
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg3  6  0.0000  0.0000  0.1264  1
  Hg  Hg4  6  0.0000  0.0000  0.3786  1
]