data_[Ba2Al2Ga4Si2]
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 [4.5786]
_cell_length_b [4.7222]
_cell_length_c [10.3585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaAlGa2Si]
_chemical_formula_sum '[Ba2 Al2 Ga4 Si2]'
_cell_volume [223.9611]
_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  0.4405  1.0
  Al  Al1  2  0.0000  0.5000  0.1931  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0654  1.0
  Ga  Ga3  2  0.0000  0.5000  0.6962  1.0
  Si  Si4  2  0.0000  0.0000  0.8170  1.0
]