data_[Tl4Ga12Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4723]
_cell_length_b [16.8911]
_cell_length_c [5.4364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlGa3Sn]
_chemical_formula_sum '[Tl4 Ga12 Sn4]'
_cell_volume [502.5100]
_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  0.0000  0.1987  0.2500  1.0
  Ga  Ga1  8  0.2465  0.3731  0.2500  1.0
  Ga  Ga2  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  4  0.0000  0.4418  0.7500  1.0
]