data_[Mg8Cd4Ga8]
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 [10.4591]
_cell_length_b [4.5962]
_cell_length_c [9.6439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2CdGa2]
_chemical_formula_sum '[Mg8 Cd4 Ga8]'
_cell_volume [420.9279]
_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
[
  Mg  Mg0  4  0.0090  0.0000  0.3162  1.0
  Mg  Mg1  4  0.1688  0.0000  0.0742  1.0
  Cd  Cd2  4  0.2243  0.5000  0.3623  1.0
  Ga  Ga3  4  0.0419  0.5000  0.8848  1.0
  Ga  Ga4  4  0.1208  0.5000  0.6173  1.0
]