data_[Er4Sn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7161]
_cell_length_b [4.7161]
_cell_length_c [16.0589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [ErSnHg]
_chemical_formula_sum '[Er4 Sn4 Hg4]'
_cell_volume [309.3262]
_cell_formula_units_Z [4]
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  2  0.0000  0.0000  0.0000  1.0
  Er  Er1  2  0.0000  0.0000  0.2500  1.0
  Sn  Sn2  4  0.3333  0.6667  0.1019  1.0
  Hg  Hg3  4  0.3333  0.6667  0.8421  1.0
]