data_[Sm6Al4Hg8]
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 [C2/m]
_cell_length_a [11.1913]
_cell_length_b [4.8022]
_cell_length_c [9.1130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(AlHg2)2]
_chemical_formula_sum '[Sm6 Al4 Hg8]'
_cell_volume [441.4091]
_cell_formula_units_Z [2]
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  0.1622  0.5000  0.6736  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1130  0.5000  0.2818  1.0
  Hg  Hg3  4  0.0850  0.0000  0.4104  1.0
  Hg  Hg4  4  0.1960  0.5000  0.0405  1.0
]