data_[Ba4Al2Zn12Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3325]
_cell_length_b [5.3290]
_cell_length_c [8.9837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.2158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AlZn6Ga]
_chemical_formula_sum '[Ba4 Al2 Zn12 Ga2]'
_cell_volume [472.7223]
_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  0.2483  0.0000  0.6901  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.0303  0.2517  0.7807  1.0
  Zn  Zn3  4  0.2477  0.0000  0.0810  1.0
  Ga  Ga4  2  0.0000  0.5000  0.5000  1.0
]