data_[Na8Tl8Ga4]
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 [Ibam]
_cell_length_a [6.6005]
_cell_length_b [14.4273]
_cell_length_c [5.8989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na2Tl2Ga]
_chemical_formula_sum '[Na8 Tl8 Ga4]'
_cell_volume [561.7385]
_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  0.1449  0.1014  0.5000  1.0
  Tl  Tl1  8  0.1527  0.3229  0.5000  1.0
  Ga  Ga2  4  0.0000  0.5000  0.2500  1.0
]