data_[Ba12Li4Hg2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [8.0679]
_cell_length_b [9.4832]
_cell_length_c [14.6316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Li2HgPt]
_chemical_formula_sum '[Ba12 Li4 Hg2 Pt2]'
_cell_volume [957.3074]
_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  0.1108  0.5319  0.2397  1.0
  Ba  Ba1  4  0.2034  0.1989  0.0562  1.0
  Ba  Ba2  4  0.3794  0.6663  0.0524  1.0
  Li  Li3  4  0.3247  0.6093  0.7479  1.0
  Hg  Hg4  2  0.5000  0.0000  0.0000  1.0
  Pt  Pt5  2  0.0000  0.0000  0.5000  1.0
]