data_[Ba4Li4Ga6]
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 [C2/m]
_cell_length_a [11.2855]
_cell_length_b [5.0596]
_cell_length_c [6.9610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li2Ga3]
_chemical_formula_sum '[Ba4 Li4 Ga6]'
_cell_volume [377.0132]
_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  4  0.1478  0.0000  0.7788  1.0
  Li  Li1  4  0.1712  0.0000  0.3285  1.0
  Ga  Ga2  4  0.0814  0.5000  0.3923  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
]