data_[Tl2Sn1Bi1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8535]
_cell_length_b [4.5151]
_cell_length_c [8.3153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2SnBiTe4]
_chemical_formula_sum '[Tl2 Sn1 Bi1 Te4]'
_cell_volume [278.9570]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  1  0.5000  0.0000  0.5000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  1  0.5000  0.5000  0.0000  1.0
  Te  Te4  2  0.2391  0.5000  0.2238  1.0
  Te  Te5  2  0.2542  0.0000  0.7745  1.0
]