data_[K2Er6Pu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4946]
_cell_length_b [4.3729]
_cell_length_c [9.0334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KEr3(PuTe3)2]
_chemical_formula_sum '[K2 Er6 Pu4 Te12]'
_cell_volume [745.5029]
_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
[
  K  K0  2  0.0000  0.5000  0.0000  1
  Er  Er1  4  0.1649  0.0000  0.8293  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  4  0.1685  0.0000  0.3369  1
  Te  Te4  4  0.0015  0.0000  0.7326  1
  Te  Te5  4  0.1642  0.5000  0.5875  1
  Te  Te6  4  0.1734  0.5000  0.0789  1
]