data_[Ba4Cd12Ga4]
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 [P2_1/c]
_cell_length_a [8.9255]
_cell_length_b [6.7717]
_cell_length_c [11.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaCd3Ga]
_chemical_formula_sum '[Ba4 Cd12 Ga4]'
_cell_volume [547.1971]
_cell_formula_units_Z [4]
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  0.2427  0.6909  0.2378  1
  Cd  Cd1  4  0.0520  0.2009  0.1461  1
  Cd  Cd2  4  0.2789  0.0685  0.0357  1
  Cd  Cd3  4  0.4617  0.1960  0.3780  1
  Ga  Ga4  4  0.2116  0.0403  0.4507  1
]