data_[Na4In4Hg2Br12]
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 [8.4562]
_cell_length_b [11.7297]
_cell_length_c [8.9791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2In2HgBr6]
_chemical_formula_sum '[Na4 In4 Hg2 Br12]'
_cell_volume [877.5267]
_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  0.0000  0.2014  0.5000  1.0
  In  In1  4  0.0549  0.0000  0.1572  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  8  0.2149  0.1803  0.2713  1.0
  Br  Br4  4  0.1696  0.0000  0.6739  1.0
]