data_[Ba6Sr3Mg36Ga9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5622]
_cell_length_b [9.5622]
_cell_length_c [22.3907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Sr(Mg4Ga)3]
_chemical_formula_sum '[Ba6 Sr3 Mg36 Ga9]'
_cell_volume [1773.0237]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4141  1
  Sr  Sr1  3  0.0000  0.0000  0.0000  1
  Mg  Mg2  18  0.0698  0.5349  0.8123  1
  Mg  Mg3  18  0.1014  0.5507  0.3863  1
  Ga  Ga4  9  0.0000  0.5000  0.5000  1
]