data_[Ba2Zn2Cd4Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7340]
_cell_length_b [4.7851]
_cell_length_c [11.6016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaZnCd2Ga]
_chemical_formula_sum '[Ba2 Zn2 Cd4 Ga2]'
_cell_volume [262.8079]
_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  2  0.0000  0.0000  0.4358  1.0
  Zn  Zn1  2  0.0000  0.5000  0.2038  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0562  1.0
  Cd  Cd3  2  0.0000  0.5000  0.6992  1.0
  Ga  Ga4  2  0.0000  0.0000  0.8172  1.0
]