data_[Fe4Cu26Ge4S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [10.5502]
_cell_length_b [10.5502]
_cell_length_c [10.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [215]
_chemical_formula_structural [Fe2Cu13(GeS8)2]
_chemical_formula_sum '[Fe4 Cu26 Ge4 S32]'
_cell_volume [1174.2999]
_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
[
  Fe  Fe0  4  0.2492  0.7508  0.2492  1
  Cu  Cu1  12  0.0000  0.2446  0.5000  1
  Cu  Cu2  6  0.0000  0.0000  0.2602  1
  Cu  Cu3  6  0.2466  0.5000  0.5000  1
  Cu  Cu4  1  0.0000  0.0000  0.0000  1
  Cu  Cu5  1  0.5000  0.5000  0.5000  1
  Ge  Ge6  4  0.2533  0.2533  0.2533  1
  S  S7  12  0.1231  0.3743  0.3743  1
  S  S8  12  0.1296  0.3724  0.8704  1
  S  S9  4  0.1274  0.1274  0.1274  1
  S  S10  4  0.3712  0.6288  0.3712  1
]