data_[Ba8Zn4Ga8]
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 [C2/m]
_cell_length_a [11.3596]
_cell_length_b [5.1713]
_cell_length_c [11.5401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnGa2]
_chemical_formula_sum '[Ba8 Zn4 Ga8]'
_cell_volume [608.1039]
_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  0.0919  0.0000  0.8796  1.0
  Ba  Ba1  4  0.1877  0.5000  0.6669  1.0
  Zn  Zn2  4  0.1343  0.5000  0.3554  1.0
  Ga  Ga3  4  0.0878  0.0000  0.4519  1.0
  Ga  Ga4  4  0.1001  0.5000  0.1080  1.0
]