data_[Sr8In12Hg20]
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 [Ibam]
_cell_length_a [12.1013]
_cell_length_b [13.5533]
_cell_length_c [7.0971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr2In3Hg5]
_chemical_formula_sum '[Sr8 In12 Hg20]'
_cell_volume [1164.0202]
_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  0.2398  0.3728  0.5000  1.0
  In  In1  8  0.1207  0.3681  0.0000  1.0
  In  In2  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg3  8  0.0000  0.2350  0.2500  1.0
  Hg  Hg4  8  0.1480  0.1153  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.2500  1.0
]