data_[Sr12Al8Ga12]
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 [Cmcm]
_cell_length_a [4.6677]
_cell_length_b [11.4328]
_cell_length_c [15.6142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Al2Ga3]
_chemical_formula_sum '[Sr12 Al8 Ga12]'
_cell_volume [833.2431]
_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
[
  Sr  Sr0  8  0.0000  0.0862  0.1098  1
  Sr  Sr1  4  0.0000  0.3760  0.2500  1
  Al  Al2  8  0.0000  0.2105  0.5936  1
  Ga  Ga3  8  0.0000  0.3820  0.0334  1
  Ga  Ga4  4  0.0000  0.3233  0.7500  1
]