data_[Li4Tm4Hg6]
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 [Cmmm]
_cell_length_a [3.7104]
_cell_length_b [23.8492]
_cell_length_c [3.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li2Tm2Hg3]
_chemical_formula_sum '[Li4 Tm4 Hg6]'
_cell_volume [310.7416]
_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  4  0.0000  0.2886  0.5000  1
  Tm  Tm1  4  0.0000  0.4222  0.5000  1
  Hg  Hg2  4  0.0000  0.1573  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
]