data_[Sm9Tl2Hg1]
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 [P4/mmm]
_cell_length_a [4.9320]
_cell_length_b [4.9320]
_cell_length_c [14.7462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm9Tl2Hg]
_chemical_formula_sum '[Sm9 Tl2 Hg1]'
_cell_volume [358.6925]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1640  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  2  0.5000  0.5000  0.3303  1
  Sm  Sm3  1  0.5000  0.5000  0.0000  1
  Tl  Tl4  2  0.0000  0.0000  0.3328  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
]