data_[Ba6Cd16Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7278]
_cell_length_b [5.1019]
_cell_length_c [10.0198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Cd8Ga3]
_chemical_formula_sum '[Ba6 Cd16 Ga6]'
_cell_volume [762.8738]
_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
[
  Ba  Ba0  4  0.2030  0.5000  0.6966  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0028  0.5000  0.3128  1
  Cd  Cd3  4  0.1347  0.0000  0.8436  1
  Cd  Cd4  4  0.1426  0.0000  0.4215  1
  Cd  Cd5  4  0.1588  0.5000  0.0193  1
  Ga  Ga6  4  0.1617  0.5000  0.3011  1
  Ga  Ga7  2  0.0000  0.0000  0.5000  1
]