data_[Sr12Al12Ga4]
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 [C2/m]
_cell_length_a [12.3583]
_cell_length_b [4.4027]
_cell_length_c [16.0076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Al3Ga]
_chemical_formula_sum '[Sr12 Al12 Ga4]'
_cell_volume [825.0926]
_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  4  0.0113  0.5000  0.3866  1
  Sr  Sr1  4  0.1171  0.5000  0.9230  1
  Sr  Sr2  4  0.2418  0.5000  0.2321  1
  Al  Al3  4  0.0328  0.0000  0.2302  1
  Al  Al4  4  0.0918  0.0000  0.0763  1
  Al  Al5  4  0.1850  0.0000  0.5371  1
  Ga  Ga6  4  0.2151  0.0000  0.3791  1
]