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 [Pmm2]
_cell_length_a [3.8256]
_cell_length_b [9.2016]
_cell_length_c [19.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl3Bi2As3]
_chemical_formula_sum '[Tl3 Bi2 As3]'
_cell_volume [682.8180]
_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  0.0000  0.2386  0.6177  1
  Tl  Tl1  1  0.5000  0.0000  0.4294  1
  Bi  Bi2  2  0.0000  0.2983  0.3910  1
  As  As3  2  0.5000  0.3611  0.4894  1
  As  As4  1  0.5000  0.0000  0.5744  1
]