data_[Li4Ga2Cu12]
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 [7.9155]
_cell_length_b [3.8144]
_cell_length_c [7.6566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2GaCu6]
_chemical_formula_sum '[Li4 Ga2 Cu12]'
_cell_volume [222.9798]
_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  0.1778  0.5000  0.7306  1
  Ga  Ga1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  4  0.0073  0.0000  0.8378  1
  Cu  Cu3  4  0.1612  0.5000  0.0539  1
  Cu  Cu4  4  0.1613  0.5000  0.3883  1
]