data_[Tl4In14Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8074]
_cell_length_b [9.3679]
_cell_length_c [6.8048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2In7Bi2]
_chemical_formula_sum '[Tl4 In14 Bi4]'
_cell_volume [681.0816]
_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  0.2981  0.5000  1
  In  In1  8  0.1376  0.3064  0.0994  1
  In  In2  4  0.2265  0.5000  0.7728  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.1746  0.0000  0.6245  1
]