data_[Ba8Mg20Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.6881]
_cell_length_b [10.7650]
_cell_length_c [16.2749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Mg5Ga4]
_chemical_formula_sum '[Ba8 Mg20 Ga16]'
_cell_volume [1171.7612]
_cell_formula_units_Z [4]
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  8  0.0000  0.0000  0.1412  1
  Mg  Mg1  8  0.2500  0.2500  0.0000  1
  Mg  Mg2  8  0.2500  0.2500  0.2500  1
  Mg  Mg3  4  0.0000  0.0000  0.5000  1
  Ga  Ga4  16  0.0000  0.1251  0.3573  1
]