data_[Sm4Hg8Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [28.4303]
_cell_length_b [4.5887]
_cell_length_c [4.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(HgBi)2]
_chemical_formula_sum '[Sm4 Hg8 Bi8]'
_cell_volume [594.9118]
_cell_formula_units_Z [4]
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  4  0.1585  0.5000  0.1748  1
  Hg  Hg1  4  0.0430  0.0000  0.8654  1
  Hg  Hg2  4  0.0492  0.5000  0.3513  1
  Bi  Bi3  4  0.1378  0.0000  0.6568  1
  Bi  Bi4  4  0.2500  0.0000  0.2511  1
]