data_[Na4In4Hg4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6037]
_cell_length_b [5.5698]
_cell_length_c [9.6008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaInHgBr3]
_chemical_formula_sum '[Na4 In4 Hg4 Br12]'
_cell_volume [924.0094]
_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  0.2235  0.5000  0.3318  1.0
  In  In1  4  0.0498  0.0000  0.3336  1.0
  Hg  Hg2  4  0.1905  0.5000  0.9662  1.0
  Br  Br3  4  0.0389  0.5000  0.2673  1.0
  Br  Br4  4  0.1085  0.0000  0.6411  1.0
  Br  Br5  4  0.2047  0.0000  0.3281  1.0
]