data_[Sm1Ho1Tl2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7003]
_cell_length_b [4.7003]
_cell_length_c [7.4236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmHo(TlZn)2]
_chemical_formula_sum '[Sm1 Ho1 Tl2 Zn2]'
_cell_volume [142.0356]
_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  1  0.0000  0.0000  0.8472  1
  Ho  Ho1  1  0.0000  0.0000  0.3475  1
  Tl  Tl2  1  0.3333  0.6667  0.6215  1
  Tl  Tl3  1  0.6667  0.3333  0.1311  1
  Zn  Zn4  1  0.3333  0.6667  0.0489  1
  Zn  Zn5  1  0.6667  0.3333  0.5406  1
]