data_[Na10In4Hg10]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3779]
_cell_length_b [3.7036]
_cell_length_c [11.6075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5In2Hg5]
_chemical_formula_sum '[Na10 In4 Hg10]'
_cell_volume [681.9834]
_cell_formula_units_Z [2]
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  0.1645  0.5000  0.0459  1.0
  Na  Na1  4  0.1892  0.0000  0.5672  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.0362  0.0000  0.7652  1.0
  Hg  Hg4  4  0.1481  0.0000  0.2784  1.0
  Hg  Hg5  4  0.1801  0.5000  0.7786  1.0
  Hg  Hg6  2  0.0000  0.0000  0.0000  1.0
]