data_[Tm3Mg3Al1Cd1Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.3730]
_cell_length_b [7.3730]
_cell_length_c [4.5256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Tm3Mg3AlCdHg]
_chemical_formula_sum '[Tm3 Mg3 Al1 Cd1 Hg1]'
_cell_volume [213.0560]
_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
[
  Tm  Tm0  3  0.0934  0.7500  0.0000  1
  Mg  Mg1  3  0.4245  0.0879  0.5000  1
  Al  Al2  1  0.3333  0.6667  0.5000  1
  Cd  Cd3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  1  0.6667  0.3333  0.0000  1
]