data_[Sm20Ag8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.0413]
_cell_length_b [7.4546]
_cell_length_c [8.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm5(AgHg)2]
_chemical_formula_sum '[Sm20 Ag8 Hg8]'
_cell_volume [1023.0650]
_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  16  0.1385  0.1755  0.3247  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  8  0.0000  0.1198  0.6337  1.0
  Hg  Hg3  8  0.2155  0.0000  0.0000  1.0
]