data_[Cd7Ga4Sn1]
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 [P-3m1]
_cell_length_a [4.9388]
_cell_length_b [4.9388]
_cell_length_c [13.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cd7Ga4Sn]
_chemical_formula_sum '[Cd7 Ga4 Sn1]'
_cell_volume [275.9277]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2479  1.0
  Cd  Cd1  2  0.3333  0.6667  0.5950  1.0
  Cd  Cd2  2  0.3333  0.6667  0.8469  1.0
  Cd  Cd3  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  2  0.3333  0.6667  0.0856  1.0
  Ga  Ga5  2  0.3333  0.6667  0.3139  1.0
  Sn  Sn6  1  0.0000  0.0000  0.5000  1.0
]