data_[Sm12Hg6Au2]
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 [P2_1/m]
_cell_length_a [9.6820]
_cell_length_b [5.1948]
_cell_length_c [11.9156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm6Hg3Au]
_chemical_formula_sum '[Sm12 Hg6 Au2]'
_cell_volume [566.5345]
_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  0.1203  0.7500  0.1472  1
  Sm  Sm1  2  0.1213  0.2500  0.6457  1
  Sm  Sm2  2  0.1216  0.7500  0.8681  1
  Sm  Sm3  2  0.2668  0.7500  0.4891  1
  Sm  Sm4  2  0.3454  0.2500  0.3090  1
  Sm  Sm5  2  0.4838  0.7500  0.1000  1
  Hg  Hg6  2  0.2324  0.2500  0.0236  1
  Hg  Hg7  2  0.3693  0.7500  0.7680  1
  Hg  Hg8  2  0.4639  0.2500  0.6219  1
  Au  Au9  2  0.0789  0.2500  0.3803  1
]