data_[Sm24Hg12C3Se9]
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
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0608]
_cell_length_b [8.0608]
_cell_length_c [23.1520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8Hg4CSe3]
_chemical_formula_sum '[Sm24 Hg12 C3 Se9]'
_cell_volume [1302.7855]
_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  0.0338  0.5169  0.7348  1.0
  Sm  Sm1  6  0.0000  0.0000  0.2590  1.0
  Hg  Hg2  9  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  9  0.0000  0.5000  0.0000  1.0
  C  C5  3  0.0000  0.0000  0.0000  1.0
]