data_[Sc4Hg4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [9.5513]
_cell_length_b [3.9912]
_cell_length_c [6.7594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Hg2Pd3]
_chemical_formula_sum '[Sc4 Hg4 Pd6]'
_cell_volume [256.3424]
_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
[
  Sc  Sc0  4  0.0819  0.5000  0.7591  1.0
  Hg  Hg1  4  0.1381  0.0000  0.4193  1.0
  Pd  Pd2  4  0.2121  0.5000  0.1391  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
]