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 [C2/m]
_cell_length_a [12.5572]
_cell_length_b [4.4202]
_cell_length_c [9.9127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(ZnGa2)2]
_chemical_formula_sum '[Ba6 Zn4 Ga8]'
_cell_volume [511.4645]
_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  0.0931  0.5000  0.6848  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1892  0.5000  0.2974  1.0
  Ga  Ga3  4  0.1612  0.0000  0.4370  1.0
  Ga  Ga4  4  0.2329  0.5000  0.0555  1.0
]