data_[Cu18Sb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2540]
_cell_length_b [9.2540]
_cell_length_c [10.9160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu6SbS8]
_chemical_formula_sum '[Cu18 Sb3 S24]'
_cell_volume [809.5708]
_cell_formula_units_Z [3]
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
[
  Cu  Cu0  18  0.0320  0.8174  0.3804  1
  Sb  Sb1  3  0.0000  0.0000  0.0000  1
  S  S2  18  0.0205  0.6031  0.2470  1
  S  S3  6  0.0000  0.0000  0.2535  1
]