data_[Na1Tm1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.5886]
_cell_length_b [6.5886]
_cell_length_c [5.1961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NaTmHg6]
_chemical_formula_sum '[Na1 Tm1 Hg6]'
_cell_volume [195.3414]
_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
[
  Na  Na0  1  0.3333  0.6667  0.5000  1.0
  Tm  Tm1  1  0.6667  0.3333  0.0000  1.0
  Hg  Hg2  3  0.1662  0.3325  0.0000  1.0
  Hg  Hg3  3  0.3335  0.1668  0.5000  1.0
]