data_[Ba6Zn8Ga4]
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 [12.4768]
_cell_length_b [4.6425]
_cell_length_c [9.3488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(Zn2Ga)2]
_chemical_formula_sum '[Ba6 Zn8 Ga4]'
_cell_volume [513.4180]
_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  0.1165  0.5000  0.6795  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1304  0.0000  0.4189  1.0
  Zn  Zn3  4  0.2262  0.5000  0.0645  1.0
  Ga  Ga4  4  0.1717  0.5000  0.3213  1.0
]