data_[Sm12Hg4Au4]
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 [Cmmm]
_cell_length_a [9.9612]
_cell_length_b [15.8314]
_cell_length_c [3.9498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm3HgAu]
_chemical_formula_sum '[Sm12 Hg4 Au4]'
_cell_volume [622.8754]
_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  8  0.1949  0.1115  0.5000  1
  Sm  Sm1  4  0.0000  0.3446  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0000  0.5000  0.5000  1
  Au  Au4  4  0.2500  0.2500  0.0000  1
]