data_[Na4Ga4Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  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 [14.0485]
_cell_length_b [7.8460]
_cell_length_c [10.4641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaGaHgBr4]
_chemical_formula_sum '[Na4 Ga4 Hg4 Br16]'
_cell_volume [1072.7109]
_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  0.1727  0.5000  0.8974  1.0
  Ga  Ga1  4  0.1764  0.5000  0.2746  1.0
  Hg  Hg2  4  0.0509  0.0000  0.7964  1.0
  Br  Br3  8  0.1653  0.2615  0.1225  1.0
  Br  Br4  4  0.0264  0.5000  0.3294  1.0
  Br  Br5  4  0.1770  0.0000  0.5285  1.0
]