data_[Li4Ga8Cu6]
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 [8.0328]
_cell_length_b [4.0462]
_cell_length_c [7.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ga4Cu3]
_chemical_formula_sum '[Li4 Ga8 Cu6]'
_cell_volume [253.3329]
_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
[
  Li  Li0  4  0.1875  0.5000  0.2333  1
  Ga  Ga1  4  0.0259  0.0000  0.3422  1
  Ga  Ga2  4  0.1550  0.5000  0.8901  1
  Cu  Cu3  4  0.1571  0.5000  0.5664  1
  Cu  Cu4  2  0.0000  0.0000  0.0000  1
]