data_[Tm16Al2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6594]
_cell_length_b [14.3517]
_cell_length_c [5.3309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8AlHg2]
_chemical_formula_sum '[Tm16 Al2 Hg4]'
_cell_volume [616.6808]
_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  8  0.2091  0.8851  0.1066  1
  Tm  Tm1  4  0.0000  0.2177  0.5000  1
  Tm  Tm2  4  0.1109  0.5000  0.3052  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.0000  0.3051  0.0000  1
]