data_[Sr4In12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1515]
_cell_length_b [4.9510]
_cell_length_c [8.1331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrIn3Hg2]
_chemical_formula_sum '[Sr4 In12 Hg8]'
_cell_volume [678.0793]
_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  0.1204  0.0000  0.1812  1.0
  In  In1  4  0.0674  0.0000  0.6857  1.0
  In  In2  4  0.1255  0.5000  0.5131  1.0
  In  In3  4  0.1985  0.5000  0.9314  1.0
  Hg  Hg4  4  0.0194  0.5000  0.8378  1.0
  Hg  Hg5  4  0.2393  0.0000  0.6519  1.0
]