data_[Cd4In8Sn4Hg20]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5256]
_cell_length_b [16.9266]
_cell_length_c [16.2900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CdIn2SnHg5]
_chemical_formula_sum '[Cd4 In8 Sn4 Hg20]'
_cell_volume [972.1312]
_cell_formula_units_Z [4]
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  0.4786  0.4408  1.0
  In  In1  4  0.0000  0.1483  0.3409  1.0
  In  In2  4  0.0000  0.1526  0.6720  1.0
  Sn  Sn3  4  0.0000  0.1770  0.0017  1.0
  Hg  Hg4  4  0.0000  0.0153  0.0979  1.0
  Hg  Hg5  4  0.0000  0.3289  0.3343  1.0
  Hg  Hg6  4  0.0000  0.3300  0.6714  1.0
  Hg  Hg7  4  0.0000  0.3568  0.0056  1.0
  Hg  Hg8  4  0.0000  0.4966  0.7594  1.0
]