data_[Ba2Li1Ga3]
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 [Pmm2]
_cell_length_a [4.5238]
_cell_length_b [4.9889]
_cell_length_c [8.1524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba2LiGa3]
_chemical_formula_sum '[Ba2 Li1 Ga3]'
_cell_volume [183.9892]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4892  1
  Ba  Ba1  1  0.5000  0.0000  0.0073  1
  Li  Li2  1  0.5000  0.5000  0.6615  1
  Ga  Ga3  1  0.0000  0.5000  0.1660  1
  Ga  Ga4  1  0.0000  0.5000  0.8516  1
  Ga  Ga5  1  0.5000  0.5000  0.3245  1
]