data_[Sm4Hg6Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [10.5510]
_cell_length_b [4.0626]
_cell_length_c [7.6594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Hg3Pd2]
_chemical_formula_sum '[Sm4 Hg6 Pd4]'
_cell_volume [327.3320]
_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
[
  Sm  Sm0  4  0.1200  0.5000  0.3381  1.0
  Hg  Hg1  4  0.1939  0.5000  0.8579  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0946  0.0000  0.6301  1.0
]