data_[Cu10S4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1773]
_cell_length_b [3.8676]
_cell_length_c [6.7664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu5(SCl)2]
_chemical_formula_sum '[Cu10 S4 Cl4]'
_cell_volume [341.2429]
_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  4  0.1104  0.0000  0.5208  1.0
  Cu  Cu1  4  0.1919  0.5000  0.9848  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.1322  0.0000  0.8487  1.0
  Cl  Cl4  4  0.1205  0.5000  0.3521  1.0
]