data_[Li20Cd12Ga4]
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 [9.3651]
_cell_length_b [7.6161]
_cell_length_c [10.8694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Cd3Ga]
_chemical_formula_sum '[Li20 Cd12 Ga4]'
_cell_volume [767.6074]
_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  8  0.2055  0.2058  0.6702  1
  Li  Li1  4  0.0000  0.3307  0.0000  1
  Li  Li2  4  0.0312  0.5000  0.2825  1
  Li  Li3  4  0.2301  0.5000  0.8590  1
  Cd  Cd4  4  0.1704  0.5000  0.5273  1
  Cd  Cd5  4  0.2455  0.5000  0.1169  1
  Cd  Cd6  2  0.0000  0.0000  0.0000  1
  Cd  Cd7  2  0.0000  0.0000  0.5000  1
  Ga  Ga8  4  0.0474  0.0000  0.2591  1
]