data_[Li2Ga4Cu12]
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 [8.0009]
_cell_length_b [3.8109]
_cell_length_c [7.6859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(GaCu3)2]
_chemical_formula_sum '[Li2 Ga4 Cu12]'
_cell_volume [226.0004]
_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  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  4  0.1750  0.5000  0.7249  1.0
  Cu  Cu2  4  0.0054  0.0000  0.8363  1.0
  Cu  Cu3  4  0.1600  0.5000  0.3886  1.0
  Cu  Cu4  4  0.1650  0.5000  0.0563  1.0
]