data_[Ga12Te12]
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 [C2/m]
_cell_length_a [18.7122]
_cell_length_b [4.1567]
_cell_length_c [11.1284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaTe]
_chemical_formula_sum '[Ga12 Te12]'
_cell_volume [819.3947]
_cell_formula_units_Z [12]
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  0.0624  0.5000  0.0845  1.0
  Ga  Ga1  4  0.1398  0.0000  0.4130  1.0
  Ga  Ga2  4  0.2365  0.0000  0.3059  1.0
  Te  Te3  4  0.0449  0.5000  0.3190  1.0
  Te  Te4  4  0.1506  0.0000  0.0594  1.0
  Te  Te5  4  0.1664  0.0000  0.6656  1.0
]