data_[Sr24Cd8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6451]
_cell_length_b [12.5703]
_cell_length_c [9.8810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3CdHg]
_chemical_formula_sum '[Sr24 Cd8 Hg8]'
_cell_volume [1570.1101]
_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  0.0693  0.1172  0.0808  1.0
  Sr  Sr1  8  0.1037  0.4034  0.9139  1.0
  Sr  Sr2  8  0.2449  0.1784  0.6790  1.0
  Cd  Cd3  4  0.0000  0.1428  0.7500  1.0
  Cd  Cd4  4  0.0000  0.3654  0.2500  1.0
  Hg  Hg5  8  0.2171  0.0475  0.3707  1.0
]