data_[Tm4Mg36Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [12.0574]
_cell_length_b [12.0574]
_cell_length_c [7.6124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [TmMg9Hg2]
_chemical_formula_sum '[Tm4 Mg36 Hg8]'
_cell_volume [1106.6947]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5000  1
  Mg  Mg1  32  0.1212  0.1978  0.8006  1
  Mg  Mg2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  8  0.0000  0.2500  0.1250  1
]