data_[Ba4Li4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.2033]
_cell_length_b [8.0753]
_cell_length_c [8.2315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaLiGa]
_chemical_formula_sum '[Ba4 Li4 Ga4]'
_cell_volume [345.8697]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.6226  1.0
  Ba  Ba1  2  0.0000  0.5000  0.7467  1.0
  Li  Li2  4  0.0000  0.1839  0.0266  1.0
  Ga  Ga3  4  0.0000  0.3362  0.3540  1.0
]