data_[Tm4Pu6Sc2Te12]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0290]
_cell_length_b [4.3148]
_cell_length_c [8.7456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Pu3ScTe6]
_chemical_formula_sum '[Tm4 Pu6 Sc2 Te12]'
_cell_volume [695.2442]
_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  4  0.1653  0.0000  0.3319  1
  Pu  Pu1  4  0.1684  0.0000  0.8349  1
  Pu  Pu2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0008  0.0000  0.2376  1
  Te  Te5  4  0.1614  0.5000  0.0868  1
  Te  Te6  4  0.1692  0.5000  0.5783  1
]