data_[Tl2Sn1Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8230]
_cell_length_b [3.9934]
_cell_length_c [8.9338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2SnSe4]
_chemical_formula_sum '[Tl2 Sn1 Se4]'
_cell_volume [233.4032]
_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  2  0.3352  0.5000  0.6430  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.0180  0.5000  0.2168  1.0
  Se  Se3  2  0.4312  0.0000  0.1066  1.0
]