data_[Sr16Cd4Hg2]
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/m]
_cell_length_a [20.9711]
_cell_length_b [5.7403]
_cell_length_c [8.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Cd2Hg]
_chemical_formula_sum '[Sr16 Cd4 Hg2]'
_cell_volume [934.6038]
_cell_formula_units_Z [2]
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  0.0308  0.0000  0.7912  1.0
  Sr  Sr1  4  0.0937  0.5000  0.4460  1.0
  Sr  Sr2  4  0.1644  0.5000  0.9674  1.0
  Sr  Sr3  4  0.2069  0.0000  0.3159  1.0
  Cd  Cd4  4  0.1837  0.0000  0.7139  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]