data_[Cd12Ga2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6748]
_cell_length_b [5.9070]
_cell_length_c [6.1406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd6GaSn2]
_chemical_formula_sum '[Cd12 Ga2 Sn4]'
_cell_volume [453.5787]
_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
[
  Cd  Cd0  8  0.1021  0.2503  0.6915  1.0
  Cd  Cd1  4  0.1933  0.0000  0.3167  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  4  0.1124  0.5000  0.1817  1.0
]