data_[Tm14Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.9502]
_cell_length_b [9.9502]
_cell_length_c [6.5452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Tm7Hg3]
_chemical_formula_sum '[Tm14 Hg6]'
_cell_volume [561.1987]
_cell_formula_units_Z [2]
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
[
  Tm  Tm0  6  0.0622  0.5311  0.1544  1.0
  Tm  Tm1  6  0.1283  0.2565  0.4259  1.0
  Tm  Tm2  2  0.3333  0.6667  0.5700  1.0
  Hg  Hg3  6  0.1992  0.3983  0.8657  1.0
]