data_[Tl8As4]
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 [P2]
_cell_length_a [5.7391]
_cell_length_b [19.1258]
_cell_length_c [10.3218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Tl2As]
_chemical_formula_sum '[Tl8 As4]'
_cell_volume [1131.6729]
_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
[
  Tl  Tl0  2  0.0052  0.5924  0.6698  1
  Tl  Tl1  2  0.4771  0.5923  0.1600  1
  Tl  Tl2  1  0.0000  0.3964  0.5000  1
  Tl  Tl3  1  0.0000  0.4972  0.0000  1
  Tl  Tl4  1  0.5000  0.3767  0.0000  1
  Tl  Tl5  1  0.5000  0.5384  0.5000  1
  As  As6  2  0.2816  0.4540  0.2601  1
  As  As7  2  0.2932  0.4570  0.7470  1
]