data_[Sm10Tl4Hg2Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.1244]
_cell_length_b [12.1244]
_cell_length_c [3.7719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sm5Tl2HgIr2]
_chemical_formula_sum '[Sm10 Tl4 Hg2 Ir4]'
_cell_volume [554.4794]
_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  8  0.0786  0.2055  0.5000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.1723  0.6723  0.0000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  4  0.1317  0.3683  0.0000  1.0
]