data_[Sm2Hg4Pd12]
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 [9.1612]
_cell_length_b [4.2580]
_cell_length_c [8.6843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(HgPd3)2]
_chemical_formula_sum '[Sm2 Hg4 Pd12]'
_cell_volume [324.2371]
_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  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.1930  0.5000  0.7437  1.0
  Pd  Pd2  4  0.0157  0.0000  0.8397  1.0
  Pd  Pd3  4  0.1556  0.5000  0.3786  1.0
  Pd  Pd4  4  0.1566  0.5000  0.0523  1.0
]