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 [Pc]
_cell_length_a [6.1650]
_cell_length_b [18.6787]
_cell_length_c [23.6962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ga2Te3]
_chemical_formula_sum '[Ga8 Te12]'
_cell_volume [2700.5447]
_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  0.0441  0.0880  0.6824  1
  Ga  Ga1  2  0.2477  0.0321  0.3094  1
  Ga  Ga2  2  0.6400  0.0534  0.3194  1
  Ga  Ga3  2  0.6795  0.0460  0.6962  1
  Te  Te4  2  0.0162  0.0519  0.5763  1
  Te  Te5  2  0.2296  0.0152  0.4176  1
  Te  Te6  2  0.3922  0.0987  0.7600  1
  Te  Te7  2  0.5693  0.0106  0.5880  1
  Te  Te8  2  0.7851  0.0234  0.9078  1
  Te  Te9  2  0.8972  0.0824  0.2434  1
]