data_[Ti14Hg2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0462]
_cell_length_b [8.8855]
_cell_length_c [4.9467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7HgPd3]
_chemical_formula_sum '[Ti14 Hg2 Pd6]'
_cell_volume [393.4046]
_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
[
  Ti  Ti0  8  0.1909  0.2108  0.6925  1
  Ti  Ti1  4  0.1929  0.0000  0.1785  1
  Ti  Ti2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  4  0.0000  0.2156  0.0000  1
  Pd  Pd5  2  0.0000  0.0000  0.5000  1
]