data_[Tl2Ga2Sn2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3239]
_cell_length_b [7.7715]
_cell_length_c [8.7256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlGaSnS4]
_chemical_formula_sum '[Tl2 Ga2 Sn2 S8]'
_cell_volume [416.7834]
_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  0.1926  0.2500  0.0986  1.0
  Ga  Ga1  2  0.2137  0.7500  0.3054  1.0
  Sn  Sn2  2  0.2894  0.2500  0.6903  1.0
  S  S3  4  0.0311  0.0245  0.7175  1.0
  S  S4  2  0.3847  0.7500  0.0962  1.0
  S  S5  2  0.4846  0.2500  0.4836  1.0
]