data_[Sr6Li4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6640]
_cell_length_b [5.0380]
_cell_length_c [9.4516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(LiHg2)2]
_chemical_formula_sum '[Sr6 Li4 Hg8]'
_cell_volume [523.0879]
_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
[
  Sr  Sr0  4  0.1342  0.5000  0.6974  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  4  0.1783  0.5000  0.3495  1.0
  Hg  Hg3  4  0.0916  0.0000  0.4071  1.0
  Hg  Hg4  4  0.2195  0.5000  0.0798  1.0
]