data_[Ga8Te4Pb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2840]
_cell_length_b [11.0189]
_cell_length_c [7.4471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2TePbS6]
_chemical_formula_sum '[Ga8 Te4 Pb4 S24]'
_cell_volume [1039.1700]
_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  0.2308  0.4059  0.1650  1.0
  Te  Te1  4  0.0000  0.2446  0.7500  1.0
  Pb  Pb2  4  0.0000  0.2959  0.2500  1.0
  S  S3  8  0.0904  0.1113  0.6143  1.0
  S  S4  8  0.1545  0.4990  0.3524  1.0
  S  S5  8  0.1548  0.2171  0.1166  1.0
]