data_[Ta4Tl6Cu6S16]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [20.3452]
_cell_length_b [5.5990]
_cell_length_c [7.6500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ta2Tl3Cu3S8]
_chemical_formula_sum '[Ta4 Tl6 Cu6 S16]'
_cell_volume [867.8855]
_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  4  0.1254  0.2764  0.6841  1.0
  Tl  Tl1  4  0.1960  0.4367  0.2212  1.0
  Tl  Tl2  2  0.0000  0.0561  0.0000  1.0
  Cu  Cu3  4  0.1208  0.7765  0.6720  1.0
  Cu  Cu4  2  0.0000  0.2748  0.5000  1.0
  S  S5  4  0.0363  0.5103  0.7441  1.0
  S  S6  4  0.0924  0.0459  0.4407  1.0
  S  S7  4  0.1549  0.0193  0.9135  1.0
  S  S8  4  0.2096  0.5263  0.6220  1.0
]