data_[Na4In1Hg3]
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 [Pmm2]
_cell_length_a [3.4217]
_cell_length_b [5.1083]
_cell_length_c [12.4851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Na4InHg3]
_chemical_formula_sum '[Na4 In1 Hg3]'
_cell_volume [218.2269]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1674  1.0
  Na  Na1  1  0.0000  0.5000  0.8325  1.0
  Na  Na2  1  0.5000  0.0000  0.6625  1.0
  Na  Na3  1  0.5000  0.5000  0.3407  1.0
  In  In4  1  0.5000  0.5000  0.0655  1.0
  Hg  Hg5  1  0.0000  0.0000  0.4270  1.0
  Hg  Hg6  1  0.0000  0.5000  0.5751  1.0
  Hg  Hg7  1  0.5000  0.0000  0.9293  1.0
]