data_[U3Tl3Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7756]
_cell_length_b [6.7756]
_cell_length_c [5.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [UTlZn]
_chemical_formula_sum '[U3 Tl3 Zn3]'
_cell_volume [207.8374]
_cell_formula_units_Z [3]
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
[
  U  U0  3  0.0000  0.4751  0.0000  1
  Tl  Tl1  2  0.3333  0.6667  0.5000  1
  Tl  Tl2  1  0.0000  0.0000  0.0000  1
  Zn  Zn3  3  0.0000  0.7803  0.5000  1
]