data_[Na8Tl4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.5528]
_cell_length_b [8.5528]
_cell_length_c [6.1268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Na2TlGa]
_chemical_formula_sum '[Na8 Tl4 Ga4]'
_cell_volume [448.1771]
_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
[
  Na  Na0  8  0.2339  0.7500  0.6250  1
  Tl  Tl1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.0000  0.5000  1
]