data_[Sr10Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5457]
_cell_length_b [8.1379]
_cell_length_c [16.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr5Hg6]
_chemical_formula_sum '[Sr10 Hg12]'
_cell_volume [758.8167]
_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  0.0000  0.0000  0.3257  1
  Sr  Sr1  4  0.0000  0.5000  0.3535  1
  Sr  Sr2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  8  0.0000  0.2625  0.1707  1
  Hg  Hg4  4  0.0000  0.2205  0.5000  1
]