data_[Sm16Tl8Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.3420]
_cell_length_b [15.9776]
_cell_length_c [9.1572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm4Tl2Hg3]
_chemical_formula_sum '[Sm16 Tl8 Hg12]'
_cell_volume [1074.2041]
_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  0.1887  0.9574  1
  Sm  Sm1  8  0.2500  0.0267  0.2500  1
  Tl  Tl2  8  0.0000  0.1128  0.5607  1
  Hg  Hg3  8  0.2500  0.2186  0.2500  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]