data_[Sm3Hg1Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3527]
_cell_length_b [5.3527]
_cell_length_c [8.7521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm3HgRh8]
_chemical_formula_sum '[Sm3 Hg1 Rh8]'
_cell_volume [217.1666]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9142  1
  Sm  Sm1  1  0.6667  0.3333  0.0719  1
  Sm  Sm2  1  0.6667  0.3333  0.4492  1
  Hg  Hg3  1  0.0000  0.0000  0.5516  1
  Rh  Rh4  3  0.1641  0.3282  0.2510  1
  Rh  Rh5  3  0.5008  0.0015  0.7509  1
  Rh  Rh6  1  0.3333  0.6667  0.0052  1
  Rh  Rh7  1  0.3333  0.6667  0.5024  1
]