data_[Sm36Hg18Os3]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2616]
_cell_length_b [12.2616]
_cell_length_c [13.4971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12Hg6Os]
_chemical_formula_sum '[Sm36 Hg18 Os3]'
_cell_volume [1757.3736]
_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  18  0.0366  0.1919  0.8759  1
  Sm  Sm1  18  0.0378  0.8479  0.3903  1
  Hg  Hg2  18  0.0064  0.6061  0.2581  1
  Os  Os3  3  0.0000  0.0000  0.0000  1
]