data_[Ba2Ag10Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.7789]
_cell_length_b [10.4439]
_cell_length_c [10.1839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaAg5Hg7]
_chemical_formula_sum '[Ba2 Ag10 Hg14]'
_cell_volume [614.6425]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.9960  1.0
  Ag  Ag1  8  0.2490  0.2456  0.2535  1.0
  Ag  Ag2  2  0.0000  0.5000  0.7278  1.0
  Hg  Hg3  4  0.0000  0.2979  0.5069  1.0
  Hg  Hg4  4  0.0000  0.3501  0.9976  1.0
  Hg  Hg5  2  0.0000  0.0000  0.3415  1.0
  Hg  Hg6  2  0.0000  0.0000  0.6396  1.0
  Hg  Hg7  2  0.0000  0.5000  0.2722  1.0
]