data_[Na1In2Hg8Bi1]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8712]
_cell_length_b [8.6902]
_cell_length_c [6.4152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaIn2Hg8Bi]
_chemical_formula_sum '[Na1 In2 Hg8 Bi1]'
_cell_volume [325.2682]
_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  0.5000  1
  In  In1  2  0.4910  0.5000  0.2488  1
  Hg  Hg2  4  0.0053  0.3250  0.7463  1
  Hg  Hg3  2  0.5000  0.1752  0.0000  1
  Hg  Hg4  2  0.5000  0.1757  0.5000  1
  Bi  Bi5  1  0.0000  0.0000  0.0000  1
]