data_[Zn2Fe4Cu12Sn6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.4219]
_cell_length_b [5.4219]
_cell_length_c [32.7214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [ZnFe2Cu6(SnS4)3]
_chemical_formula_sum '[Zn2 Fe4 Cu12 Sn6 S24]'
_cell_volume [961.9173]
_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
[
  Zn  Zn0  2  0.0000  0.5000  0.2500  1
  Fe  Fe1  4  0.0000  0.5000  0.5833  1
  Cu  Cu2  4  0.0000  0.0000  0.1666  1
  Cu  Cu3  4  0.0000  0.5000  0.0833  1
  Cu  Cu4  2  0.0000  0.0000  0.5000  1
  Cu  Cu5  2  0.0000  0.5000  0.7500  1
  Sn  Sn6  4  0.0000  0.0000  0.3335  1
  Sn  Sn7  2  0.0000  0.0000  0.0000  1
  S  S8  8  0.2323  0.7598  0.7901  1
  S  S9  8  0.2340  0.2372  0.5442  1
  S  S10  8  0.2349  0.2388  0.8774  1
]