data_[Ba16Zn2Ga4]
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 [21.1259]
_cell_length_b [5.8875]
_cell_length_c [8.1686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8ZnGa2]
_chemical_formula_sum '[Ba16 Zn2 Ga4]'
_cell_volume [973.2983]
_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  0.0355  0.0000  0.7951  1
  Ba  Ba1  4  0.0965  0.5000  0.4427  1
  Ba  Ba2  4  0.1668  0.5000  0.9649  1
  Ba  Ba3  4  0.2048  0.0000  0.3156  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Ga  Ga5  4  0.1876  0.0000  0.7118  1
]