data_[Ba6Zn8Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5990]
_cell_length_b [4.6956]
_cell_length_c [26.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3(ZnGa)4]
_chemical_formula_sum '[Ba6 Zn8 Ga8]'
_cell_volume [579.1535]
_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  0.0000  0.5000  0.3474  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.0000  0.2502  1.0
  Zn  Zn3  4  0.0000  0.5000  0.1006  1.0
  Ga  Ga4  4  0.0000  0.0000  0.4501  1.0
  Ga  Ga5  4  0.0000  0.5000  0.1983  1.0
]