data_[Sm8Tl8Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4121]
_cell_length_b [4.7197]
_cell_length_c [11.1572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Tl2Zn]
_chemical_formula_sum '[Sm8 Tl8 Zn4]'
_cell_volume [536.4764]
_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  4  0.0184  0.0000  0.3353  1.0
  Sm  Sm1  4  0.1797  0.0000  0.0985  1.0
  Tl  Tl2  4  0.0316  0.5000  0.8792  1.0
  Tl  Tl3  4  0.1511  0.5000  0.5627  1.0
  Zn  Zn4  4  0.2227  0.5000  0.3260  1.0
]