data_[Sr8Li12Hg16]
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 [Cmce]
_cell_length_a [6.4664]
_cell_length_b [16.9410]
_cell_length_c [8.4121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2Li3Hg4]
_chemical_formula_sum '[Sr8 Li12 Hg16]'
_cell_volume [921.5210]
_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
[
  Sr  Sr0  8  0.0000  0.1159  0.5860  1.0
  Li  Li1  8  0.2500  0.2168  0.2500  1.0
  Li  Li2  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.0000  0.1853  0.9705  1.0
  Hg  Hg4  8  0.2500  0.0479  0.2500  1.0
]