data_[La6Al4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6677]
_cell_length_b [4.3673]
_cell_length_c [8.7769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(AlGa2)2]
_chemical_formula_sum '[La6 Al4 Ga8]'
_cell_volume [440.6121]
_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
[
  La  La0  4  0.1652  0.5000  0.6680  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.1114  0.5000  0.2782  1
  Ga  Ga3  4  0.0587  0.0000  0.3922  1
  Ga  Ga4  4  0.2181  0.5000  0.0514  1
]