data_[Zn4Cd2Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [12.8367]
_cell_length_b [2.8770]
_cell_length_c [9.5532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2CdGa6]
_chemical_formula_sum '[Zn4 Cd2 Ga12]'
_cell_volume [342.5169]
_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
[
  Zn  Zn0  4  0.1626  0.5000  0.2360  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0010  0.0000  0.6676  1.0
  Ga  Ga3  4  0.1671  0.5000  0.5581  1.0
  Ga  Ga4  4  0.1809  0.5000  0.8807  1.0
]