data_[Li24Cd10Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8104]
_cell_length_b [7.5915]
_cell_length_c [7.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Cd5Ga2]
_chemical_formula_sum '[Li24 Cd10 Ga4]'
_cell_volume [685.9842]
_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  8  0.1304  0.2983  0.6885  1.0
  Li  Li1  8  0.1474  0.1872  0.2428  1.0
  Li  Li2  4  0.0546  0.5000  0.3276  1.0
  Li  Li3  4  0.0760  0.0000  0.8823  1.0
  Cd  Cd4  4  0.2117  0.5000  0.0177  1.0
  Cd  Cd5  4  0.2376  0.0000  0.5553  1.0
  Cd  Cd6  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga7  4  0.0000  0.3250  0.0000  1.0
]