data_[Tm1Pu3Ga12]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2176]
_cell_length_b [4.2176]
_cell_length_c [16.9663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm(PuGa4)3]
_chemical_formula_sum '[Tm1 Pu3 Ga12]'
_cell_volume [301.8006]
_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  0.2480  1
  Pu  Pu2  1  0.0000  0.0000  0.5000  1
  Ga  Ga3  4  0.0000  0.5000  0.1260  1
  Ga  Ga4  4  0.0000  0.5000  0.3723  1
  Ga  Ga5  2  0.5000  0.5000  0.2501  1
  Ga  Ga6  1  0.5000  0.5000  0.0000  1
  Ga  Ga7  1  0.5000  0.5000  0.5000  1
]