data_[Na4In8Sn4Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.6485]
_cell_length_b [17.6148]
_cell_length_c [15.1998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaIn2SnHg5]
_chemical_formula_sum '[Na4 In8 Sn4 Hg20]'
_cell_volume [976.8481]
_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  0.4644  0.4097  1.0
  In  In1  4  0.0000  0.0653  0.7217  1.0
  In  In2  4  0.0000  0.1474  0.4000  1.0
  Sn  Sn3  4  0.0000  0.2087  0.9710  1.0
  Hg  Hg4  4  0.0000  0.0625  0.0786  1.0
  Hg  Hg5  4  0.0000  0.2615  0.6404  1.0
  Hg  Hg6  4  0.0000  0.3011  0.2918  1.0
  Hg  Hg7  4  0.0000  0.3952  0.0613  1.0
  Hg  Hg8  4  0.0000  0.4096  0.7495  1.0
]