data_[Li4Ga1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.7498]
_cell_length_b [4.5893]
_cell_length_c [7.0672]
_cell_angle_alpha [105.8755]
_cell_angle_beta [97.5161]
_cell_angle_gamma [94.4906]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Ga]
_chemical_formula_sum '[Li4 Ga1]'
_cell_volume [84.4365]
_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  0.2447  0.3084  0.1239  1.0
  Li  Li1  2  0.4131  0.1024  0.6852  1.0
  Ga  Ga2  1  0.0000  0.5000  0.5000  1.0
]