data_[Ba6Zn4Ga8]
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 [P-6m2]
_cell_length_a [4.4494]
_cell_length_b [4.4494]
_cell_length_c [30.8927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba3(ZnGa2)2]
_chemical_formula_sum '[Ba6 Zn4 Ga8]'
_cell_volume [529.6535]
_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  0.3333  0.6667  0.0831  1
  Ba  Ba1  2  0.3333  0.6667  0.4155  1
  Ba  Ba2  2  0.3333  0.6667  0.7488  1
  Zn  Zn3  2  0.0000  0.0000  0.3335  1
  Zn  Zn4  1  0.0000  0.0000  0.0000  1
  Zn  Zn5  1  0.6667  0.3333  0.0000  1
  Ga  Ga6  2  0.0000  0.0000  0.1663  1
  Ga  Ga7  2  0.6667  0.3333  0.3336  1
  Ga  Ga8  2  0.6667  0.3333  0.8325  1
  Ga  Ga9  1  0.0000  0.0000  0.5000  1
  Ga  Ga10  1  0.6667  0.3333  0.5000  1
]