data_[Li5Al1Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9638]
_cell_length_b [5.8355]
_cell_length_c [6.0174]
_cell_angle_alpha [75.3484]
_cell_angle_beta [77.1510]
_cell_angle_gamma [73.2487]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li5AlGa4]
_chemical_formula_sum '[Li5 Al1 Ga4]'
_cell_volume [159.3624]
_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
[
  Li  Li0  2  0.1094  0.3913  0.7905  1
  Li  Li1  2  0.2965  0.1970  0.4024  1
  Li  Li2  1  0.5000  0.5000  0.0000  1
  Al  Al3  1  0.5000  0.0000  0.0000  1
  Ga  Ga4  2  0.0948  0.8921  0.8016  1
  Ga  Ga5  2  0.3011  0.6971  0.3980  1
]