data_[Tl10As2]
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 [P6mm]
_cell_length_a [8.7246]
_cell_length_b [8.7246]
_cell_length_c [18.9362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Tl5As]
_chemical_formula_sum '[Tl10 As2]'
_cell_volume [1248.2959]
_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  6  0.2080  0.4160  0.5798  1
  Tl  Tl1  3  0.0000  0.5000  0.3719  1
  Tl  Tl2  1  0.0000  0.0000  0.4926  1
  As  As3  2  0.3333  0.6667  0.4564  1
]