data_[Ti8Hg2Pd10]
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 [Pmmn]
_cell_length_a [8.2016]
_cell_length_b [9.1874]
_cell_length_c [4.6426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ti4HgPd5]
_chemical_formula_sum '[Ti8 Hg2 Pd10]'
_cell_volume [349.8280]
_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  4  0.0000  0.2344  0.7695  1
  Ti  Ti1  4  0.2096  0.5000  0.9681  1
  Hg  Hg2  2  0.0000  0.0000  0.3958  1
  Pd  Pd3  8  0.1673  0.2679  0.2511  1
  Pd  Pd4  2  0.0000  0.5000  0.5432  1
]