data_[Sr4Cd12Hg8]
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 [17.7679]
_cell_length_b [4.5424]
_cell_length_c [8.9356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCd3Hg2]
_chemical_formula_sum '[Sr4 Cd12 Hg8]'
_cell_volume [650.0979]
_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  4  0.1371  0.0000  0.0497  1.0
  Cd  Cd1  4  0.0530  0.0000  0.4071  1.0
  Cd  Cd2  4  0.0975  0.5000  0.6878  1.0
  Cd  Cd3  4  0.1898  0.5000  0.4571  1.0
  Hg  Hg4  4  0.0234  0.5000  0.1745  1.0
  Hg  Hg5  4  0.2188  0.0000  0.7636  1.0
]