data_[Cd7Ga9]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.6779]
_cell_length_b [7.6779]
_cell_length_c [19.2503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Cd7Ga9]
_chemical_formula_sum '[Cd7 Ga9]'
_cell_volume [982.7812]
_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  6  0.2076  0.4151  0.6136  1
  Cd  Cd1  1  0.0000  0.0000  0.4821  1
  Ga  Ga2  6  0.2080  0.4161  0.3928  1
  Ga  Ga3  3  0.0000  0.5000  0.4931  1
]