data_[Tb8Pu2As10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.2542]
_cell_length_b [9.2542]
_cell_length_c [5.8477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tb4PuAs5]
_chemical_formula_sum '[Tb8 Pu2 As10]'
_cell_volume [500.8030]
_cell_formula_units_Z [2]
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
[
  Tb  Tb0  8  0.0998  0.3010  0.5000  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  As  As2  8  0.0989  0.2982  0.0000  1
  As  As3  2  0.0000  0.0000  0.5000  1
]