data_[Na2Tl6Ga2]
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 [P-1]
_cell_length_a [3.7620]
_cell_length_b [8.6543]
_cell_length_c [9.1938]
_cell_angle_alpha [84.3549]
_cell_angle_beta [79.8151]
_cell_angle_gamma [89.4384]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaTl3Ga]
_chemical_formula_sum '[Na2 Tl6 Ga2]'
_cell_volume [293.1700]
_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
[
  Na  Na0  2  0.4019  0.0668  0.1925  1.0
  Tl  Tl1  2  0.0488  0.2368  0.8851  1.0
  Tl  Tl2  2  0.2496  0.8112  0.5066  1.0
  Tl  Tl3  2  0.4122  0.4312  0.1848  1.0
  Ga  Ga4  2  0.2133  0.4318  0.5872  1.0
]