data_[Na4Tl4Ga4]
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 [Cm]
_cell_length_a [12.1517]
_cell_length_b [3.5648]
_cell_length_c [7.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaTlGa]
_chemical_formula_sum '[Na4 Tl4 Ga4]'
_cell_volume [312.8999]
_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  2  0.2434  0.0000  0.7437  1.0
  Na  Na1  2  0.4345  0.5000  0.5507  1.0
  Tl  Tl2  2  0.0733  0.5000  0.9365  1.0
  Tl  Tl3  2  0.3974  0.5000  0.1174  1.0
  Ga  Ga4  2  0.1007  0.5000  0.3889  1.0
  Ga  Ga5  2  0.2264  0.0000  0.2673  1.0
]