data_[Tm4Mg8Hg24]
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 [C2/c]
_cell_length_a [14.0093]
_cell_length_b [11.1312]
_cell_length_c [5.4230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm(MgHg3)2]
_chemical_formula_sum '[Tm4 Mg8 Hg24]'
_cell_volume [833.5208]
_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  0.1291  0.2500  1
  Mg  Mg1  8  0.1612  0.3748  0.0890  1
  Hg  Hg2  8  0.0556  0.3761  0.5279  1
  Hg  Hg3  8  0.1160  0.1242  0.8011  1
  Hg  Hg4  8  0.2274  0.1283  0.3467  1
]