data_[Ta2Tl6Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1783]
_cell_length_b [12.2845]
_cell_length_c [7.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTl3(PbS3)2]
_chemical_formula_sum '[Ta2 Tl6 Pb4 S12]'
_cell_volume [638.3132]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1687  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  4  0.0000  0.3330  0.0000  1.0
  S  S4  8  0.2084  0.1426  0.1968  1.0
  S  S5  4  0.2150  0.0000  0.7928  1.0
]