data_[Tl2Cu2Sn2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.0345]
_cell_length_b [5.0222]
_cell_length_c [7.9431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TlCuSnS2]
_chemical_formula_sum '[Tl2 Cu2 Sn2 S4]'
_cell_volume [280.6215]
_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  0.5000  0.1472  0.2500  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.4196  0.2500  1.0
  S  S3  4  0.2301  0.2622  0.5819  1.0
]