data_[Ga8Ag8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9768]
_cell_length_b [13.6508]
_cell_length_c [7.4778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [GaAgTe3]
_chemical_formula_sum '[Ga8 Ag8 Te24]'
_cell_volume [1194.1516]
_cell_formula_units_Z [8]
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  4  0.0000  0.0037  0.2500  1.0
  Ga  Ga1  4  0.0000  0.3335  0.7500  1.0
  Ag  Ag2  8  0.1366  0.3508  0.3059  1.0
  Te  Te3  8  0.1148  0.2139  0.5653  1.0
  Te  Te4  8  0.1191  0.1126  0.0330  1.0
  Te  Te5  8  0.1365  0.4512  0.9866  1.0
]