data_[Tb3Pu1As4]
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 [Pm-3m]
_cell_length_a [5.8483]
_cell_length_b [5.8483]
_cell_length_c [5.8483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Tb3PuAs4]
_chemical_formula_sum '[Tb3 Pu1 As4]'
_cell_volume [200.0289]
_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
[
  Tb  Tb0  3  0.0000  0.5000  0.5000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  As  As2  3  0.0000  0.0000  0.5000  1
  As  As3  1  0.5000  0.5000  0.5000  1
]