data_[Tm6Pu2P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8357]
_cell_length_b [7.9166]
_cell_length_c [6.8611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Tm3PuP4]
_chemical_formula_sum '[Tm6 Pu2 P8]'
_cell_volume [349.9810]
_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
[
  Tm  Tm0  2  0.0000  0.3761  0.2500  1
  Tm  Tm1  2  0.5000  0.1268  0.2500  1
  Tm  Tm2  2  0.5000  0.3760  0.7500  1
  Pu  Pu3  2  0.0000  0.1266  0.7500  1
  P  P4  4  0.2480  0.1238  0.5005  1
  P  P5  4  0.2508  0.3753  0.9996  1
]