data_[Tl2Cu2As4Pb2S10]
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
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9694]
_cell_length_b [8.2470]
_cell_length_c [9.4204]
_cell_angle_alpha [68.0605]
_cell_angle_beta [74.2380]
_cell_angle_gamma [63.9798]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCuAs2PbS5]
_chemical_formula_sum '[Tl2 Cu2 As4 Pb2 S10]'
_cell_volume [511.7601]
_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  0.2380  0.8311  0.3793  1.0
  Cu  Cu1  2  0.3771  0.2953  0.3695  1.0
  As  As2  2  0.0597  0.3608  0.6883  1.0
  As  As3  2  0.4169  0.9438  0.8609  1.0
  Pb  Pb4  2  0.2448  0.5490  0.9203  1.0
  S  S5  2  0.1339  0.3650  0.2500  1.0
  S  S6  2  0.1501  0.1942  0.9323  1.0
  S  S7  2  0.3217  0.8888  0.6859  1.0
  S  S8  2  0.3269  0.4163  0.5656  1.0
  S  S9  2  0.3753  0.7092  0.0778  1.0
]