data_[Tl4In16Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3794]
_cell_length_b [8.0545]
_cell_length_c [5.4948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlIn4Ga]
_chemical_formula_sum '[Tl4 In16 Ga4]'
_cell_volume [686.0547]
_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  0.1905  0.0000  0.1971  1.0
  In  In1  8  0.1302  0.2506  0.6330  1.0
  In  In2  4  0.0000  0.1884  0.0000  1.0
  In  In3  4  0.1771  0.5000  0.1718  1.0
  Ga  Ga4  4  0.0034  0.5000  0.2618  1.0
]