data_[K4Ta2Au2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.9918]
_cell_length_b [8.2098]
_cell_length_c [7.2165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [K2TaAuS4]
_chemical_formula_sum '[K4 Ta2 Au2 S8]'
_cell_volume [490.3892]
_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
[
  K  K0  2  0.0000  0.2303  0.5000  1.0
  K  K1  2  0.0000  0.9707  0.0000  1.0
  Ta  Ta2  2  0.0000  0.7253  0.5000  1.0
  Au  Au3  2  0.0000  0.5579  0.0000  1.0
  S  S4  4  0.1386  0.5639  0.8275  1.0
  S  S5  4  0.1860  0.8871  0.5126  1.0
]