data_[Tl4Ga12Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6728]
_cell_length_b [8.4593]
_cell_length_c [8.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlGa3Bi]
_chemical_formula_sum '[Tl4 Ga12 Bi4]'
_cell_volume [534.5062]
_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
[
  Tl  Tl0  4  0.3600  0.0623  0.7855  1
  Ga  Ga1  4  0.0897  0.2017  0.4486  1
  Ga  Ga2  4  0.1886  0.0086  0.0828  1
  Ga  Ga3  4  0.3796  0.0852  0.3929  1
  Bi  Bi4  4  0.1633  0.7189  0.8683  1
]