data_[Sr8Cd12Hg16]
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 [Cmce]
_cell_length_a [6.4316]
_cell_length_b [17.2425]
_cell_length_c [9.1364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2Cd3Hg4]
_chemical_formula_sum '[Sr8 Cd12 Hg16]'
_cell_volume [1013.1927]
_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  0.0000  0.1157  0.5810  1.0
  Cd  Cd1  8  0.2500  0.2181  0.2500  1.0
  Cd  Cd2  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.0000  0.1803  0.9634  1.0
  Hg  Hg4  8  0.2500  0.0466  0.2500  1.0
]