data_[Tl1Sn2Ge1Te4]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7403]
_cell_length_b [4.4381]
_cell_length_c [7.8358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlSn2GeTe4]
_chemical_formula_sum '[Tl1 Sn2 Ge1 Te4]'
_cell_volume [253.9079]
_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  0.5000  0.5000  0.0000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  1  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  1  0.5000  0.0000  0.5000  1.0
  Te  Te4  2  0.2444  0.0000  0.7324  1.0
  Te  Te5  2  0.2558  0.5000  0.2673  1.0
]