data_[Cd1In2Ag1Hg6]
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
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3848]
_cell_length_b [6.4802]
_cell_length_c [8.0267]
_cell_angle_alpha [89.3488]
_cell_angle_beta [67.0211]
_cell_angle_gamma [61.8234]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdIn2AgHg6]
_chemical_formula_sum '[Cd1 In2 Ag1 Hg6]'
_cell_volume [263.3239]
_cell_formula_units_Z [1]
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  1  0.1882  0.9990  0.1816  1.0
  In  In1  1  0.8989  0.9309  0.9198  1.0
  In  In2  1  0.9828  0.5490  0.4570  1.0
  Ag  Ag3  1  0.2633  0.4290  0.6858  1.0
  Hg  Hg4  1  0.2525  0.4358  0.0485  1.0
  Hg  Hg5  1  0.4259  0.9292  0.7621  1.0
  Hg  Hg6  1  0.4700  0.6550  0.3949  1.0
  Hg  Hg7  1  0.6090  0.0691  0.3294  1.0
  Hg  Hg8  1  0.7429  0.5003  0.9615  1.0
  Hg  Hg9  1  0.8434  0.1644  0.5979  1.0
]