data_[Li4Ga8Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8880]
_cell_length_b [4.2063]
_cell_length_c [7.6753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiGa2Cu]
_chemical_formula_sum '[Li4 Ga8 Cu4]'
_cell_volume [247.0250]
_cell_formula_units_Z [4]
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  4  0.0034  0.5000  0.6940  1.0
  Ga  Ga1  4  0.1411  0.0000  0.9941  1.0
  Ga  Ga2  4  0.1904  0.0000  0.6815  1.0
  Cu  Cu3  4  0.1857  0.0000  0.3528  1.0
]