data_[Sr4Si4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8765]
_cell_length_b [3.9592]
_cell_length_c [5.0162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSiHg]
_chemical_formula_sum '[Sr4 Si4 Hg4]'
_cell_volume [321.7087]
_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  4  0.1382  0.0000  0.8805  1.0
  Si  Si1  4  0.2111  0.5000  0.4105  1.0
  Hg  Hg2  4  0.0444  0.5000  0.2924  1.0
]