data_[La6Hf9Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2007]
_cell_length_b [5.2007]
_cell_length_c [23.5611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2Hf3Hg2]
_chemical_formula_sum '[La6 Hf9 Hg6]'
_cell_volume [551.8810]
_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
[
  La  La0  3  0.0000  0.0000  0.2421  1
  La  La1  3  0.0000  0.0000  0.8003  1
  Hf  Hf2  3  0.0000  0.0000  0.0625  1
  Hf  Hf3  3  0.0000  0.0000  0.3887  1
  Hf  Hf4  3  0.0000  0.0000  0.6667  1
  Hg  Hg5  3  0.0000  0.0000  0.5213  1
  Hg  Hg6  3  0.0000  0.0000  0.9434  1
]