data_[Tl2Ga2Sn2Te6]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4006]
_cell_length_b [4.5216]
_cell_length_c [10.3734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlGaSnTe3]
_chemical_formula_sum '[Tl2 Ga2 Sn2 Te6]'
_cell_volume [425.7808]
_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  0.2217  0.2500  0.2340  1.0
  Ga  Ga1  2  0.0798  0.2500  0.6261  1.0
  Sn  Sn2  2  0.3294  0.7500  0.8846  1.0
  Te  Te3  2  0.0840  0.2500  0.8788  1.0
  Te  Te4  2  0.1986  0.7500  0.5419  1.0
  Te  Te5  2  0.4564  0.7500  0.1753  1.0
]