data_[Cu8Si4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.1056]
_cell_length_b [6.3963]
_cell_length_c [7.0761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Cu2SiS3]
_chemical_formula_sum '[Cu8 Si4 S12]'
_cell_volume [432.9176]
_cell_formula_units_Z [4]
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
[
  Si  Si0  4  0.0949  0.4147  0.5124  1.0
  Cu  Cu1  4  0.2462  0.0863  0.9921  1.0
  Cu  Cu2  4  0.4128  0.4205  0.4981  1.0
  S  S3  4  0.1203  0.0966  0.6121  1.0
  S  S4  4  0.2845  0.4186  0.1258  1.0
  S  S5  4  0.4663  0.0766  0.6345  1.0
]