data_[Ca6Cd6Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4754]
_cell_length_b [10.0495]
_cell_length_c [13.5319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3Cd3Ga8]
_chemical_formula_sum '[Ca6 Cd6 Ga16]'
_cell_volume [608.6045]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.2000  1.0
  Ca  Ca1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  4  0.0000  0.1985  0.0000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga4  8  0.0000  0.2745  0.3459  1.0
  Ga  Ga5  8  0.0000  0.3722  0.1604  1.0
]