data_[Tl4Zn4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2184]
_cell_length_b [4.4501]
_cell_length_c [5.8030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlZnGa]
_chemical_formula_sum '[Tl4 Zn4 Ga4]'
_cell_volume [281.8473]
_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  0.1204  0.0000  0.8892  1
  Zn  Zn1  4  0.1884  0.0000  0.4448  1
  Ga  Ga2  4  0.0661  0.5000  0.3712  1
]