data_[Sr6Al16Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5385]
_cell_length_b [10.4670]
_cell_length_c [13.0484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Al8Ga3]
_chemical_formula_sum '[Sr6 Al16 Ga6]'
_cell_volume [619.8559]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.1808  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  8  0.0000  0.2693  0.3547  1.0
  Al  Al3  8  0.0000  0.3714  0.1625  1.0
  Ga  Ga4  4  0.0000  0.2170  0.0000  1.0
  Ga  Ga5  2  0.0000  0.5000  0.5000  1.0
]