data_[Tm1Pu4Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8708]
_cell_length_b [3.8708]
_cell_length_c [14.8987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TmPu4Au5]
_chemical_formula_sum '[Tm1 Pu4 Au5]'
_cell_volume [223.2254]
_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
[
  Tm  Tm0  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.0000  0.0000  0.2293  1
  Pu  Pu2  2  0.0000  0.0000  0.3794  1
  Au  Au3  2  0.5000  0.5000  0.1028  1
  Au  Au4  2  0.5000  0.5000  0.3024  1
  Au  Au5  1  0.5000  0.5000  0.5000  1
]