data_[La10Tm8Hg8]
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 [I4/m]
_cell_length_a [12.4653]
_cell_length_b [12.4653]
_cell_length_c [5.1597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La5(TmHg)4]
_chemical_formula_sum '[La10 Tm8 Hg8]'
_cell_volume [801.7374]
_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
[
  La  La0  8  0.1238  0.1881  0.5000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  8  0.0962  0.4037  0.0000  1
  Hg  Hg3  8  0.0845  0.7515  0.0000  1
]