data_[Cd9Ga4]
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 [P31m]
_cell_length_a [7.8706]
_cell_length_b [7.8706]
_cell_length_c [19.4849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cd9Ga4]
_chemical_formula_sum '[Cd9 Ga4]'
_cell_volume [1045.3120]
_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  0.2099  0.7893  0.5795  1
  Cd  Cd1  3  0.0000  0.5697  0.4384  1
  Ga  Ga2  3  0.0000  0.2199  0.4527  1
  Ga  Ga3  1  0.0000  0.0000  0.3494  1
]