data_[Sm6Hg9Au9]
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 [R3m]
_cell_length_a [5.0621]
_cell_length_b [5.0621]
_cell_length_c [24.5797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm2(HgAu)3]
_chemical_formula_sum '[Sm6 Hg9 Au9]'
_cell_volume [545.4750]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0037  1
  Sm  Sm1  3  0.0000  0.0000  0.4964  1
  Hg  Hg2  3  0.0000  0.0000  0.2473  1
  Hg  Hg3  3  0.0000  0.0000  0.6245  1
  Hg  Hg4  3  0.0000  0.0000  0.7528  1
  Au  Au5  3  0.0000  0.0000  0.1264  1
  Au  Au6  3  0.0000  0.0000  0.3720  1
  Au  Au7  3  0.0000  0.0000  0.8770  1
]