data_[Cd10In2Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.2726]
_cell_length_b [10.4783]
_cell_length_c [10.6598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cd5InHg7]
_chemical_formula_sum '[Cd10 In2 Hg14]'
_cell_volume [700.6312]
_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  8  0.2475  0.2442  0.7735  1.0
  Cd  Cd1  2  0.0000  0.5000  0.7670  1.0
  In  In2  2  0.0000  0.0000  0.9437  1.0
  Hg  Hg3  4  0.0000  0.3187  0.5270  1.0
  Hg  Hg4  4  0.0000  0.3367  0.0211  1.0
  Hg  Hg5  2  0.0000  0.0000  0.2522  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5624  1.0
  Hg  Hg7  2  0.0000  0.5000  0.2844  1.0
]