data_[Ba2Zn8Ga4]
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 [Cmmm]
_cell_length_a [4.4296]
_cell_length_b [14.6194]
_cell_length_c [4.3909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba(Zn2Ga)2]
_chemical_formula_sum '[Ba2 Zn8 Ga4]'
_cell_volume [284.3476]
_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  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  4  0.0000  0.1898  0.5000  1.0
  Zn  Zn2  4  0.0000  0.3043  0.0000  1.0
  Ga  Ga3  4  0.0000  0.4046  0.5000  1.0
]