data_[Sr2Cd2Hg12]
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 [Amm2]
_cell_length_a [5.3674]
_cell_length_b [7.0998]
_cell_length_c [11.3720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SrCdHg6]
_chemical_formula_sum '[Sr2 Cd2 Hg12]'
_cell_volume [433.3548]
_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  2  0.5000  0.0000  0.3924  1
  Cd  Cd1  2  0.0000  0.0000  0.1164  1
  Hg  Hg2  4  0.0000  0.2193  0.8384  1
  Hg  Hg3  4  0.5000  0.2301  0.6552  1
  Hg  Hg4  2  0.0000  0.0000  0.5776  1
  Hg  Hg5  2  0.5000  0.0000  0.9261  1
]