data_[Tl2Ga2Sn2S6]
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 [9.4380]
_cell_length_b [3.9818]
_cell_length_c [9.6787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlGaSnS3]
_chemical_formula_sum '[Tl2 Ga2 Sn2 S6]'
_cell_volume [360.4078]
_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  0.1673  0.2500  0.1617  1.0
  Ga  Ga1  2  0.0879  0.2500  0.6125  1.0
  Sn  Sn2  2  0.3869  0.7500  0.8407  1.0
  S  S3  2  0.1499  0.2500  0.8392  1.0
  S  S4  2  0.1534  0.7500  0.4916  1.0
  S  S5  2  0.3956  0.7500  0.1082  1.0
]