data_[Sm24Al4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.1477]
_cell_length_b [10.2306]
_cell_length_c [10.3743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm6AlHg2]
_chemical_formula_sum '[Sm24 Al4 Hg8]'
_cell_volume [1077.0331]
_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  8  0.0000  0.1756  0.2636  1.0
  Sm  Sm1  8  0.1724  0.5000  0.7677  1.0
  Sm  Sm2  8  0.2452  0.3054  0.5000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  Al  Al4  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.3530  0.0000  1.0
  Hg  Hg6  4  0.1419  0.0000  0.5000  1.0
]