data_[K4Pu8Co4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9251]
_cell_length_b [13.6984]
_cell_length_c [13.5188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KPu2CoS4]
_chemical_formula_sum '[K4 Pu8 Co4 S16]'
_cell_volume [726.8720]
_cell_formula_units_Z [4]
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  0.0000  0.1016  0.7500  1
  Pu  Pu1  8  0.0000  0.3659  0.5582  1
  Co  Co2  4  0.0000  0.1697  0.2500  1
  S  S3  8  0.0000  0.2605  0.1126  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4189  0.7500  1
]