data_[Na4Mg8In4Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  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 [3.3525]
_cell_length_b [17.0894]
_cell_length_c [15.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaMg2InHg5]
_chemical_formula_sum '[Na4 Mg8 In4 Hg20]'
_cell_volume [897.8685]
_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  0.4648  0.4196  1.0
  Mg  Mg1  4  0.0000  0.0756  0.6976  1.0
  Mg  Mg2  4  0.0000  0.1561  0.3796  1.0
  In  In3  4  0.0000  0.2099  0.9778  1.0
  Hg  Hg4  4  0.0000  0.0651  0.0859  1.0
  Hg  Hg5  4  0.0000  0.2686  0.6591  1.0
  Hg  Hg6  4  0.0000  0.3167  0.3026  1.0
  Hg  Hg7  4  0.0000  0.3843  0.0416  1.0
  Hg  Hg8  4  0.0000  0.4325  0.7602  1.0
]