data_[Li2Tm16Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5774]
_cell_length_b [5.1798]
_cell_length_c [6.8728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Tm4Hg)2]
_chemical_formula_sum '[Li2 Tm16 Hg4]'
_cell_volume [600.5205]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm1  4  0.0262  0.0000  0.7719  1.0
  Tm  Tm2  4  0.0925  0.5000  0.4572  1.0
  Tm  Tm3  4  0.1625  0.5000  0.9623  1.0
  Tm  Tm4  4  0.1925  0.0000  0.2928  1.0
  Hg  Hg5  4  0.1890  0.0000  0.7146  1.0
]