data_[Cu8S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.0736]
_cell_length_b [21.6842]
_cell_length_c [4.8048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Cu4S]
_chemical_formula_sum '[Cu8 S2]'
_cell_volume [374.8916]
_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
[
  Cu  Cu0  2  0.0975  0.0955  0.2084  1
  Cu  Cu1  2  0.4330  0.0622  0.9039  1
  Cu  Cu2  2  0.7886  0.1074  0.6109  1
  Cu  Cu3  2  0.9166  0.0032  0.3957  1
  S  S4  2  0.2992  0.1541  0.6307  1
]