data_[Mg12Cd6Ga2]
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 [P2_1/m]
_cell_length_a [9.3280]
_cell_length_b [4.6215]
_cell_length_c [10.1534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6Cd3Ga]
_chemical_formula_sum '[Mg12 Cd6 Ga2]'
_cell_volume [434.0512]
_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  0.0561  0.2500  0.8962  1.0
  Mg  Mg1  2  0.1417  0.7500  0.6860  1.0
  Mg  Mg2  2  0.1502  0.2500  0.2018  1.0
  Mg  Mg3  2  0.2353  0.2500  0.4993  1.0
  Mg  Mg4  2  0.3508  0.7500  0.3062  1.0
  Mg  Mg5  2  0.4516  0.2500  0.0978  1.0
  Cd  Cd6  2  0.2434  0.7500  0.0061  1.0
  Cd  Cd7  2  0.3499  0.2500  0.7968  1.0
  Cd  Cd8  2  0.4537  0.7500  0.6017  1.0
  Ga  Ga9  2  0.0556  0.7500  0.3884  1.0
]