data_[Tl8Ga4Te8]
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 [P2_1/c]
_cell_length_a [9.7974]
_cell_length_b [9.4496]
_cell_length_c [8.3619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2GaTe2]
_chemical_formula_sum '[Tl8 Ga4 Te8]'
_cell_volume [711.3985]
_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  4  0.0741  0.7405  0.0395  1
  Tl  Tl1  4  0.2864  0.1254  0.3053  1
  Ga  Ga2  4  0.3920  0.5829  0.4494  1
  Te  Te3  4  0.1263  0.0359  0.8191  1
  Te  Te4  4  0.4512  0.6951  0.7811  1
]