data_[Tl14Cd4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.7186]
_cell_length_b [13.3942]
_cell_length_c [9.1443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl7(CdBi)2]
_chemical_formula_sum '[Tl14 Cd4 Bi4]'
_cell_volume [700.4223]
_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  4  0.0000  0.1390  0.3280  1.0
  Tl  Tl1  4  0.0000  0.1413  0.9300  1.0
  Tl  Tl2  4  0.0000  0.3678  0.1064  1.0
  Tl  Tl3  2  0.0000  0.5000  0.4314  1.0
  Cd  Cd4  2  0.0000  0.0000  0.6337  1.0
  Cd  Cd5  2  0.0000  0.5000  0.7992  1.0
  Bi  Bi6  4  0.0000  0.2885  0.6304  1.0
]