data_[Cd4In3Hg2]
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 [P-1]
_cell_length_a [5.2006]
_cell_length_b [5.7872]
_cell_length_c [8.8045]
_cell_angle_alpha [76.9582]
_cell_angle_beta [87.1556]
_cell_angle_gamma [64.0490]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd4In3Hg2]
_chemical_formula_sum '[Cd4 In3 Hg2]'
_cell_volume [231.7582]
_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  2  0.0316  0.8926  0.6727  1.0
  Cd  Cd1  2  0.3267  0.3446  0.9595  1.0
  In  In2  2  0.3592  0.2512  0.6211  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.2909  0.4567  0.2761  1.0
]