data_[K8Co12S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.7115]
_cell_length_b [9.7506]
_cell_length_c [13.7022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [K2Co3S4]
_chemical_formula_sum '[K8 Co12 S16]'
_cell_volume [763.0753]
_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  8  0.0000  0.0000  0.3445  1.0
  Co  Co1  8  0.2500  0.2500  0.0000  1.0
  Co  Co2  4  0.0000  0.0000  0.0000  1.0
  S  S3  16  0.0000  0.1668  0.1081  1.0
]