data_[Sm12Tm12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1428]
_cell_length_b [11.6752]
_cell_length_c [15.9010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3Tm3Hg2]
_chemical_formula_sum '[Sm12 Tm12 Hg8]'
_cell_volume [954.7447]
_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  0.0406  0.6075  1
  Sm  Sm1  4  0.0000  0.2843  0.7500  1
  Tm  Tm2  8  0.0000  0.3577  0.5353  1
  Tm  Tm3  4  0.0000  0.4282  0.2500  1
  Hg  Hg4  8  0.0000  0.2328  0.1248  1
]