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 [10.4059]
_cell_length_b [4.5824]
_cell_length_c [9.5954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2CdGa2]
_chemical_formula_sum '[Mg8 Cd4 Ga8]'
_cell_volume [415.2134]
_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  0.3161  1
  Mg  Mg1  4  0.1688  0.0000  0.0742  1
  Cd  Cd2  4  0.2242  0.5000  0.3623  1
  Ga  Ga3  4  0.0418  0.5000  0.8850  1
  Ga  Ga4  4  0.1210  0.5000  0.6174  1
]