data_[Tl2Ga2Bi2Te6]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2814]
_cell_length_b [4.6852]
_cell_length_c [10.1463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlGaBiTe3]
_chemical_formula_sum '[Tl2 Ga2 Bi2 Te6]'
_cell_volume [432.1049]
_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  0.1877  0.7500  0.2325  1
  Ga  Ga1  2  0.0876  0.7500  0.6070  1
  Bi  Bi2  2  0.3347  0.2500  0.8682  1
  Te  Te3  2  0.1051  0.7500  0.8810  1
  Te  Te4  2  0.2091  0.2500  0.5261  1
  Te  Te5  2  0.4437  0.2500  0.1726  1
]