data_[K8Er2Pu6S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6478]
_cell_length_b [8.0036]
_cell_length_c [7.3252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4ErPu3S8]
_chemical_formula_sum '[K8 Er2 Pu6 S16]'
_cell_volume [858.6561]
_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  4  0.2500  0.2500  0.5000  1
  K  K1  2  0.0000  0.0000  0.0000  1
  K  K2  2  0.0000  0.5000  0.0000  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  Pu  Pu4  4  0.2500  0.2500  0.0000  1
  Pu  Pu5  2  0.0000  0.5000  0.5000  1
  S  S6  8  0.0747  0.2450  0.2923  1
  S  S7  4  0.1722  0.5000  0.7880  1
  S  S8  4  0.1723  0.0000  0.7860  1
]