data_[Ba12Ag4Hg2Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1635]
_cell_length_b [8.9979]
_cell_length_c [14.2021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Ag2HgPt]
_chemical_formula_sum '[Ba12 Ag4 Hg2 Pt2]'
_cell_volume [885.5258]
_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  4  0.0798  0.5516  0.2400  1.0
  Ba  Ba1  4  0.2290  0.1915  0.0749  1.0
  Ba  Ba2  4  0.3797  0.6664  0.0657  1.0
  Ag  Ag3  4  0.3148  0.6144  0.7618  1.0
  Hg  Hg4  2  0.5000  0.0000  0.0000  1.0
  Pt  Pt5  2  0.0000  0.0000  0.5000  1.0
]