data_[Sm9Zn24Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5276]
_cell_length_b [5.5276]
_cell_length_c [27.0899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm3Zn8Hg]
_chemical_formula_sum '[Sm9 Zn24 Hg3]'
_cell_volume [716.8119]
_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  0.3783  1.0
  Sm  Sm1  3  0.0000  0.0000  0.5054  1.0
  Sm  Sm2  3  0.0000  0.0000  0.9920  1.0
  Zn  Zn3  9  0.1678  0.3357  0.2724  1.0
  Zn  Zn4  9  0.1700  0.3399  0.7700  1.0
  Zn  Zn5  3  0.0000  0.0000  0.1878  1.0
  Zn  Zn6  3  0.0000  0.0000  0.6888  1.0
  Hg  Hg7  3  0.0000  0.0000  0.8704  1.0
]