data_[Ba2Tl4Zn2Bi4]
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
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9877]
_cell_length_b [9.9263]
_cell_length_c [8.3489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BaTl2ZnBi2]
_chemical_formula_sum '[Ba2 Tl4 Zn2 Bi4]'
_cell_volume [413.3495]
_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
[
  Ba  Ba0  2  0.0000  0.4384  0.5122  1.0
  Tl  Tl1  2  0.0000  0.1506  0.8316  1.0
  Tl  Tl2  2  0.5000  0.0809  0.5129  1.0
  Zn  Zn3  2  0.5000  0.3384  0.1687  1.0
  Bi  Bi4  2  0.0000  0.1854  0.2148  1.0
  Bi  Bi5  2  0.5000  0.3782  0.8054  1.0
]