data_[Ca2Tm4Pu2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.1887]
_cell_length_b [6.1887]
_cell_length_c [12.3916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CaTm2PuTe4]
_chemical_formula_sum '[Ca2 Tm4 Pu2 Te8]'
_cell_volume [474.5993]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  2  0.0000  0.5000  0.7500  1
  Pu  Pu3  2  0.0000  0.5000  0.2500  1
  Te  Te4  4  0.0000  0.0000  0.2470  1
  Te  Te5  4  0.0000  0.5000  0.5042  1
]