data_[Tl8Ga4Sn4Te20]
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 [Cmc2_1]
_cell_length_a [4.1714]
_cell_length_b [20.6412]
_cell_length_c [13.9454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2GaSnTe5]
_chemical_formula_sum '[Tl8 Ga4 Sn4 Te20]'
_cell_volume [1200.7293]
_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  0.0000  0.1087  0.6713  1.0
  Tl  Tl1  4  0.0000  0.1240  0.3128  1.0
  Ga  Ga2  4  0.0000  0.4401  0.4332  1.0
  Sn  Sn3  4  0.0000  0.2121  0.0304  1.0
  Te  Te4  4  0.0000  0.0499  0.0509  1.0
  Te  Te5  4  0.0000  0.2842  0.6821  1.0
  Te  Te6  4  0.0000  0.3147  0.3801  1.0
  Te  Te7  4  0.0000  0.3508  0.9887  1.0
  Te  Te8  4  0.0000  0.4937  0.7744  1.0
]