data_[Tl4Bi2As4]
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 [P1]
_cell_length_a [6.5772]
_cell_length_b [7.3632]
_cell_length_c [20.0530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [91.1655]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2BiAs2]
_chemical_formula_sum '[Tl4 Bi2 As4]'
_cell_volume [970.9523]
_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  1  0.0360  0.0386  0.6092  1
  Tl  Tl1  1  0.2646  0.9217  0.3572  1
  Tl  Tl2  1  0.3553  0.4085  0.5828  1
  Tl  Tl3  1  0.8469  0.5195  0.5683  1
  Bi  Bi4  1  0.6206  0.1900  0.4545  1
  Bi  Bi5  1  0.9863  0.5086  0.4079  1
  As  As6  1  0.1249  0.7844  0.4938  1
  As  As7  1  0.1793  0.2132  0.4621  1
  As  As8  1  0.5021  0.7676  0.4910  1
  As  As9  1  0.5850  0.0049  0.5732  1
]