data_[Mg2Cd22Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [6.1255]
_cell_length_b [13.8088]
_cell_length_c [7.7476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCd11Ga]
_chemical_formula_sum '[Mg2 Cd22 Ga2]'
_cell_volume [604.9131]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  8  0.1029  0.6068  0.2164  1
  Cd  Cd2  8  0.1787  0.1728  0.3472  1
  Cd  Cd3  4  0.2500  0.2500  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Ga  Ga5  2  0.0000  0.5000  0.5000  1
]