data_[Tl12Ga8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3428]
_cell_length_b [11.5347]
_cell_length_c [7.0865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(GaTe2)2]
_chemical_formula_sum '[Tl12 Ga8 Te16]'
_cell_volume [1251.3527]
_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
[
  Tl  Tl0  8  0.1095  0.1231  0.4605  1.0
  Tl  Tl1  4  0.0000  0.4051  0.7500  1.0
  Ga  Ga2  8  0.2098  0.3769  0.0816  1.0
  Te  Te3  8  0.1187  0.1805  0.9648  1.0
  Te  Te4  8  0.1728  0.4063  0.4509  1.0
]