data_[Y4Pu4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.8823]
_cell_length_b [3.7568]
_cell_length_c [8.0785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YPuTl]
_chemical_formula_sum '[Y4 Pu4 Tl4]'
_cell_volume [318.6256]
_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
[
  Y  Y0  2  0.0013  0.0000  0.3750  1
  Y  Y1  2  0.1615  0.5000  0.7413  1
  Pu  Pu2  2  0.1785  0.5000  0.1752  1
  Pu  Pu3  2  0.2985  0.0000  0.0912  1
  Tl  Tl4  2  0.3152  0.0000  0.5291  1
  Tl  Tl5  2  0.4751  0.5000  0.9063  1
]