data_[Sr4Cd2Hg10]
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 [I4mm]
_cell_length_a [6.9353]
_cell_length_b [6.9353]
_cell_length_c [9.5479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Sr2CdHg5]
_chemical_formula_sum '[Sr4 Cd2 Hg10]'
_cell_volume [459.2338]
_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  0.0000  0.5000  0.2231  1
  Cd  Cd1  2  0.0000  0.0000  0.1976  1
  Hg  Hg2  8  0.2368  0.2368  0.4729  1
  Hg  Hg3  2  0.0000  0.0000  0.7434  1
]