data_[Ba6Sr3Ga3]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3584]
_cell_length_b [4.3584]
_cell_length_c [36.7062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba2SrGa]
_chemical_formula_sum '[Ba6 Sr3 Ga3]'
_cell_volume [603.8404]
_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  3  0.0000  0.0000  0.7299  1
  Ba  Ba1  3  0.0000  0.0000  0.9369  1
  Sr  Sr2  3  0.0000  0.0000  0.4998  1
  Ga  Ga3  3  0.0000  0.0000  0.3335  1
]