data_[Tl2Ag2As4Pb2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [8.0485]
_cell_length_b [8.2388]
_cell_length_c [9.3851]
_cell_angle_alpha [65.8287]
_cell_angle_beta [75.4503]
_cell_angle_gamma [65.7192]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAgAs2PbS5]
_chemical_formula_sum '[Tl2 Ag2 As4 Pb2 S10]'
_cell_volume [514.9660]
_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  0.2851  0.1518  0.1404  1.0
  Ag  Ag1  2  0.1131  0.7516  0.0907  1.0
  As  As2  2  0.1056  0.0376  0.6422  1.0
  As  As3  2  0.4515  0.6157  0.8072  1.0
  Pb  Pb4  2  0.2481  0.4600  0.5918  1.0
  S  S5  2  0.1258  0.2941  0.4265  1.0
  S  S6  2  0.1852  0.5611  0.9122  1.0
  S  S7  2  0.2133  0.0762  0.8231  1.0
  S  S8  2  0.3626  0.8163  0.5575  1.0
  S  S9  2  0.3734  0.6466  0.2572  1.0
]