data_[Tl2Zn2Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  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 [8.9089]
_cell_length_b [3.8623]
_cell_length_c [9.3777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlZnSnS3]
_chemical_formula_sum '[Tl2 Zn2 Sn2 S6]'
_cell_volume [311.7415]
_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  0.1906  0.7500  0.2219  1
  Zn  Zn1  2  0.0839  0.7500  0.6040  1
  Sn  Sn2  2  0.3397  0.2500  0.8661  1
  S  S3  2  0.1227  0.7500  0.8613  1
  S  S4  2  0.1929  0.2500  0.5236  1
  S  S5  2  0.4489  0.2500  0.1552  1
]