data_[Tl2Ga2Te6]
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]
_cell_length_a [5.9599]
_cell_length_b [7.2953]
_cell_length_c [9.3620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TlGaTe3]
_chemical_formula_sum '[Tl2 Ga2 Te6]'
_cell_volume [396.5034]
_cell_formula_units_Z [2]
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  2  0.2607  0.4323  0.6726  1
  Ga  Ga1  2  0.0333  0.3628  0.1214  1
  Te  Te2  2  0.1591  0.0149  0.1299  1
  Te  Te3  2  0.1805  0.9036  0.6519  1
  Te  Te4  2  0.3651  0.5364  0.3148  1
]