data_[Tm24Hg4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3193]
_cell_length_b [9.6200]
_cell_length_c [10.1980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6HgPd2]
_chemical_formula_sum '[Tm24 Hg4 Pd8]'
_cell_volume [914.2668]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  8  0.0000  0.1962  0.2392  1.0
  Tm  Tm1  8  0.2019  0.5000  0.1711  1.0
  Tm  Tm2  8  0.2129  0.3178  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd5  4  0.0000  0.3450  0.0000  1.0
  Pd  Pd6  4  0.0000  0.5000  0.3655  1.0
]