data_[Sm4Hg12Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1800]
_cell_length_b [5.0865]
_cell_length_c [9.4693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmHg3Au]
_chemical_formula_sum '[Sm4 Hg12 Au4]'
_cell_volume [490.3236]
_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
[
  Sm  Sm0  4  0.2461  0.2500  0.0123  1
  Hg  Hg1  4  0.0519  0.7500  0.1369  1
  Hg  Hg2  4  0.0649  0.2500  0.4019  1
  Hg  Hg3  4  0.1336  0.7500  0.8332  1
  Au  Au4  4  0.1768  0.2500  0.6885  1
]