data_[Na4Cd8In4Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Cmc2_1]
_cell_length_a [3.3473]
_cell_length_b [17.2637]
_cell_length_c [16.2565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaCd2InHg5]
_chemical_formula_sum '[Na4 Cd8 In4 Hg20]'
_cell_volume [939.3987]
_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
[
  Na  Na0  4  0.0000  0.4637  0.4027  1.0
  Cd  Cd1  4  0.0000  0.0806  0.7133  1.0
  Cd  Cd2  4  0.0000  0.1382  0.3862  1.0
  In  In3  4  0.0000  0.2170  0.9902  1.0
  Hg  Hg4  4  0.0000  0.0570  0.0697  1.0
  Hg  Hg5  4  0.0000  0.2636  0.6591  1.0
  Hg  Hg6  4  0.0000  0.2999  0.3121  1.0
  Hg  Hg7  4  0.0000  0.3947  0.0484  1.0
  Hg  Hg8  4  0.0000  0.4258  0.7424  1.0
]