data_[Ga8Cu4Te4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4828]
_cell_length_b [11.0338]
_cell_length_c [6.6036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2CuTeS6]
_chemical_formula_sum '[Ga8 Cu4 Te4 S24]'
_cell_volume [872.8918]
_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
[
  Ga  Ga0  8  0.2088  0.4023  0.2597  1.0
  Cu  Cu1  4  0.0000  0.1693  0.2500  1.0
  Te  Te2  4  0.0000  0.2714  0.7500  1.0
  S  S3  8  0.0956  0.1143  0.5933  1.0
  S  S4  8  0.1394  0.4410  0.5372  1.0
  S  S5  8  0.1450  0.2165  0.1144  1.0
]