data_[Sr24In8Hg8]
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/c]
_cell_length_a [12.6182]
_cell_length_b [12.3631]
_cell_length_c [10.0212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3InHg]
_chemical_formula_sum '[Sr24 In8 Hg8]'
_cell_volume [1562.5484]
_cell_formula_units_Z [8]
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  0.0636  0.1193  0.5829  1.0
  Sr  Sr1  8  0.0979  0.3996  0.4166  1.0
  Sr  Sr2  8  0.2456  0.1792  0.1751  1.0
  In  In3  4  0.0000  0.1318  0.2500  1.0
  In  In4  4  0.0000  0.3677  0.7500  1.0
  Hg  Hg5  8  0.2134  0.0455  0.8691  1.0
]