data_[Ba6Al2Ga2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2987]
_cell_length_b [5.1059]
_cell_length_c [19.9576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba3AlGaSi2]
_chemical_formula_sum '[Ba6 Al2 Ga2 Si4]'
_cell_volume [438.0415]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.4986  1
  Ba  Ba1  2  0.0000  0.5000  0.1850  1
  Ba  Ba2  2  0.0000  0.5000  0.8164  1
  Al  Al3  2  0.0000  0.0000  0.0645  1
  Ga  Ga4  2  0.0000  0.0000  0.9360  1
  Si  Si5  2  0.0000  0.5000  0.3668  1
  Si  Si6  2  0.0000  0.5000  0.6327  1
]