data_[Ga8Te12]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1523]
_cell_length_b [3.9971]
_cell_length_c [11.7439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ga2Te3]
_chemical_formula_sum '[Ga8 Te12]'
_cell_volume [660.5700]
_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  2  0.1798  0.0000  0.5563  1.0
  Ga  Ga1  2  0.1907  0.5000  0.2314  1.0
  Ga  Ga2  2  0.4356  0.5000  0.7222  1.0
  Ga  Ga3  2  0.4452  0.5000  0.0586  1.0
  Te  Te4  2  0.0012  0.5000  0.2117  1.0
  Te  Te5  2  0.2411  0.5000  0.6938  1.0
  Te  Te6  2  0.2547  0.5000  0.0311  1.0
  Te  Te7  2  0.2660  0.0000  0.3631  1.0
  Te  Te8  2  0.4915  0.0000  0.8655  1.0
  Te  Te9  2  0.4941  0.5000  0.5163  1.0
]