data_[La36Tm3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.7180]
_cell_length_b [11.7180]
_cell_length_c [14.8482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12TmHg6]
_chemical_formula_sum '[La36 Tm3 Hg18]'
_cell_volume [1765.6922]
_cell_formula_units_Z [3]
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
[
  La  La0  18  0.0438  0.8498  0.8009  1.0
  La  La1  18  0.0571  0.2210  0.4048  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0422  0.5927  0.7112  1.0
]