data_[Tm6Al4Hg8]
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 [10.8821]
_cell_length_b [4.7290]
_cell_length_c [8.9072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(AlHg2)2]
_chemical_formula_sum '[Tm6 Al4 Hg8]'
_cell_volume [407.4362]
_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  4  0.1634  0.5000  0.6738  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1100  0.5000  0.2793  1.0
  Hg  Hg3  4  0.0869  0.0000  0.4129  1.0
  Hg  Hg4  4  0.1907  0.5000  0.0346  1.0
]