data_[Tl3Bi2As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1006]
_cell_length_b [6.6832]
_cell_length_c [20.0389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3Bi2As3]
_chemical_formula_sum '[Tl3 Bi2 As3]'
_cell_volume [817.0123]
_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  0.5040  0.2438  0.4836  1
  Tl  Tl1  1  0.1861  0.0000  0.3552  1
  Bi  Bi2  2  0.0408  0.2572  0.5868  1
  As  As3  2  0.0059  0.3179  0.4487  1
  As  As4  1  0.4063  0.5000  0.6066  1
]