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 [C2/m]
_cell_length_a [12.5028]
_cell_length_b [4.3815]
_cell_length_c [6.8106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5As]
_chemical_formula_sum '[Tl10 As2]'
_cell_volume [365.6753]
_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  4  0.1430  0.5000  0.8421  1.0
  Tl  Tl1  4  0.1648  0.5000  0.3212  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  As  As3  2  0.0000  0.0000  0.0000  1.0
]