data_[Tm14Al4Hg4]
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 [Cmmm]
_cell_length_a [7.6718]
_cell_length_b [10.8304]
_cell_length_c [7.5240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tm7(AlHg)2]
_chemical_formula_sum '[Tm14 Al4 Hg4]'
_cell_volume [625.1544]
_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  0.2500  0.2500  0.2881  1
  Tm  Tm1  4  0.0000  0.5000  0.2713  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.1702  0.0000  0.5000  1
  Hg  Hg4  4  0.0000  0.2931  0.0000  1
]