data_[Tl13As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5585]
_cell_length_b [8.0537]
_cell_length_c [9.6623]
_cell_angle_alpha [65.5896]
_cell_angle_beta [87.2648]
_cell_angle_gamma [83.9881]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13As2]
_chemical_formula_sum '[Tl13 As2]'
_cell_volume [462.1762]
_cell_formula_units_Z [1]
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  0.0375  0.1801  0.3023  1.0
  Tl  Tl1  2  0.2353  0.6070  0.3949  1.0
  Tl  Tl2  2  0.2446  0.3858  0.8073  1.0
  Tl  Tl3  2  0.2682  0.5958  0.0469  1.0
  Tl  Tl4  2  0.4713  0.7754  0.6031  1.0
  Tl  Tl5  2  0.4714  0.0198  0.1648  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  As  As7  2  0.1664  0.1823  0.6197  1.0
]