data_[Tl4Ga2Sn2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.6514]
_cell_length_b [9.0568]
_cell_length_c [7.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2GaSnSe4]
_chemical_formula_sum '[Tl4 Ga2 Sn2 Se8]'
_cell_volume [493.3350]
_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  0.0000  0.5497  0.5000  1.0
  Tl  Tl1  2  0.0000  0.8259  0.0000  1.0
  Ga  Ga2  2  0.0000  0.0031  0.5000  1.0
  Sn  Sn3  2  0.0000  0.2970  0.0000  1.0
  Se  Se4  4  0.1728  0.1205  0.8949  1.0
  Se  Se5  4  0.2198  0.8479  0.5251  1.0
]