data_[Ta4Tl4Cu8S16]
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 [Ama2]
_cell_length_a [7.5499]
_cell_length_b [19.0837]
_cell_length_c [5.5992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [TaTl(CuS2)2]
_chemical_formula_sum '[Ta4 Tl4 Cu8 S16]'
_cell_volume [806.7273]
_cell_formula_units_Z [4]
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  0.2500  0.3919  0.9933  1.0
  Tl  Tl1  4  0.2500  0.1806  0.3424  1.0
  Cu  Cu2  4  0.0000  0.0000  0.5088  1.0
  Cu  Cu3  4  0.2500  0.3958  0.4943  1.0
  S  S4  8  0.0024  0.3971  0.2372  1.0
  S  S5  4  0.2500  0.2968  0.7427  1.0
  S  S6  4  0.2500  0.4930  0.7570  1.0
]