data_[Ba4Tl4Bi4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [16.1072]
_cell_length_b [5.0415]
_cell_length_c [9.7739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTlBiAs2]
_chemical_formula_sum '[Ba4 Tl4 Bi4 As8]'
_cell_volume [669.0858]
_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
[
  Ba  Ba0  4  0.2335  0.0000  0.7065  1.0
  Tl  Tl1  4  0.0608  0.5000  0.3915  1.0
  Bi  Bi2  4  0.0999  0.0000  0.9446  1.0
  As  As3  4  0.1147  0.0000  0.2653  1.0
  As  As4  4  0.1524  0.5000  0.8595  1.0
]