data_[Cd4Ga2Hg2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.2301]
_cell_length_b [5.2301]
_cell_length_c [9.4481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Cd2GaHgO4]
_chemical_formula_sum '[Cd4 Ga2 Hg2 O8]'
_cell_volume [258.4478]
_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
[
  Cd  Cd0  4  0.0000  0.5000  0.2500  1
  Ga  Ga1  2  0.0000  0.0000  0.5000  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.2053  0.2053  0.3811  1
]