data_[K4Fe4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.2092]
_cell_length_b [3.4419]
_cell_length_c [8.9475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KFeCoS3]
_chemical_formula_sum '[K4 Fe4 Co4 S12]'
_cell_volume [437.5851]
_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  0.2427  0.2500  0.4513  1
  Fe  Fe1  4  0.0137  0.2500  0.1742  1
  Co  Co2  4  0.0111  0.7500  0.3992  1
  S  S3  4  0.0719  0.2500  0.9312  1
  S  S4  4  0.0809  0.7500  0.6241  1
  S  S5  4  0.1178  0.7500  0.2306  1
]