data_[Gd4Tm4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1754]
_cell_length_b [6.7641]
_cell_length_c [11.7711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GdTmHg2]
_chemical_formula_sum '[Gd4 Tm4 Hg8]'
_cell_volume [412.0715]
_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
[
  Gd  Gd0  2  0.0000  0.0000  0.3254  1
  Gd  Gd1  2  0.5000  0.0000  0.6903  1
  Tm  Tm2  4  0.0000  0.2372  0.0703  1
  Hg  Hg3  4  0.5000  0.2487  0.4266  1
  Hg  Hg4  2  0.0000  0.0000  0.8280  1
  Hg  Hg5  2  0.5000  0.0000  0.1624  1
]