data_[Tl2Zn2Ga2]
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 [Pm]
_cell_length_a [4.7081]
_cell_length_b [4.5581]
_cell_length_c [6.6465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlZnGa]
_chemical_formula_sum '[Tl2 Zn2 Ga2]'
_cell_volume [141.8207]
_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  1  0.1273  0.0000  0.3049  1.0
  Tl  Tl1  1  0.6217  0.5000  0.0818  1.0
  Zn  Zn2  1  0.0442  0.5000  0.7290  1.0
  Zn  Zn3  1  0.2867  0.0000  0.8572  1.0
  Ga  Ga4  1  0.5048  0.5000  0.5422  1.0
  Ga  Ga5  1  0.7584  0.0000  0.6941  1.0
]