data_[Li12Sm4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9848]
_cell_length_b [4.2221]
_cell_length_c [9.6224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3SmHg2]
_chemical_formula_sum '[Li12 Sm4 Hg8]'
_cell_volume [509.0575]
_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
[
  Li  Li0  4  0.0641  0.0000  0.4123  1.0
  Li  Li1  4  0.0752  0.5000  0.6824  1.0
  Li  Li2  4  0.2389  0.5000  0.5843  1.0
  Sm  Sm3  4  0.1241  0.0000  0.9988  1.0
  Hg  Hg4  4  0.0769  0.5000  0.2225  1.0
  Hg  Hg5  4  0.2035  0.0000  0.7530  1.0
]